data_2d9y_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 2d9y _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 ' 11' ' ' VAL . . . . . . . . . . . . . 54.6 t . . . . . 0 C--O 1.233 0.196 0 CA-C-O 120.881 0.372 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.0 m -92.9 -51.43 5.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.158 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 35' ' ' LEU . 45.7 tttp -155.0 142.32 19.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -149.15 126.85 11.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -169.18 166.29 39.58 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.52 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.528 ' CE3' ' HD3' ' A' ' 30' ' ' LYS . 98.8 m95 -74.27 124.72 26.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.818 0.342 . . . . 0.0 110.903 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.551 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 28.5 mt -136.87 143.74 43.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.505 ' CZ ' ' HB2' ' A' ' 30' ' ' LYS . 4.7 m-85 -95.25 128.35 42.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.827 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -111.52 118.73 36.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -39.42 145.22 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.871 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.797 0.332 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 67.0 m95 -127.27 123.16 35.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -113.01 142.23 45.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.528 ' HD3' ' CE3' ' A' ' 16' ' ' TRP . 0.6 OUTLIER -80.03 147.62 31.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.89 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -158.83 146.05 17.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.505 ' CD1' ' HA ' ' A' ' 46' ' ' GLU . 51.4 t-105 -78.83 121.1 24.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.551 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 72.8 m-85 -114.49 138.86 50.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 98.4 t -132.2 94.96 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.096 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 13' ' ' LYS . 33.3 tp -57.97 130.51 46.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.462 ' CG1' ' HB2' ' A' ' 39' ' ' CYS . 0.9 OUTLIER -124.22 -175.07 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.132 179.866 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.432 ' N ' HG12 ' A' ' 36' ' ' VAL . 1.4 m-20 -60.47 116.49 4.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 46.1 mtt85 41.46 39.95 1.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.462 ' HB2' ' CG1' ' A' ' 36' ' ' VAL . 1.7 m -167.98 163.53 13.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.6 tp -140.43 117.41 11.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.949 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -106.39 168.33 9.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.504 ' CE1' ' HB2' ' A' ' 52' ' ' LEU . 13.0 p90 -155.62 149.75 25.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.564 ' N ' ' CD1' ' A' ' 43' ' ' TYR . 0.3 OUTLIER -132.98 166.79 21.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 -179.907 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.475 ' N ' ' CD1' ' A' ' 52' ' ' LEU . 23.4 tptt -54.48 -39.13 67.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.9 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.469 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 13.9 p-10 -148.76 -179.9 7.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.505 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 2.8 pp20? -68.09 -13.96 62.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -56.11 -26.74 51.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 59.01 44.25 16.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.845 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -64.27 -69.17 0.3 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.0 m -142.42 136.06 29.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.407 HG12 ' CE2' ' A' ' 43' ' ' TYR . 94.1 mt -62.29 121.2 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.165 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.504 ' HB2' ' CE1' ' A' ' 42' ' ' TYR . 6.1 mt -84.44 -51.11 7.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.435 ' HA3' ' CE2' ' A' ' 42' ' ' TYR . . . -147.39 155.19 26.39 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.487 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.9 t -121.25 154.9 35.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.819 0.343 . . . . 0.0 110.921 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 11.8 mt -132.6 117.66 15.42 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.589 0.709 . . . . 0.0 111.141 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 131.9 22.21 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.716 2.278 . . . . 0.0 112.358 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 61.5 mt -117.27 54.01 0.9 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 52.0 tp -109.73 115.8 30.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.0 m 60.93 25.37 15.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -80.0 164.18 23.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 58.7 ttm-85 -117.91 93.3 4.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 22.1 t -98.29 127.92 50.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -173.74 164.58 4.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.69 138.08 8.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.097 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.3 m -58.38 172.52 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.16 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -115.9 159.09 40.5 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.632 0.73 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -10.81 29.47 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.703 2.269 . . . . 0.0 112.336 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.5 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.837 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.828 0.347 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.563 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 2.3 m-70 61.67 54.38 2.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.822 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.9 m -124.42 147.53 48.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.168 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.5 ' N ' ' CD1' ' A' ' 77' ' ' PHE . 1.1 p90 -137.9 159.27 42.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.513 ' HB3' ' CE1' ' A' ' 88' ' ' PHE . 30.6 pttt -125.56 146.17 49.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -132.0 110.82 11.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -136.66 151.23 49.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 13.9 t-160 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.847 0.356 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 37.0 m -114.77 101.71 9.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -89.05 155.6 19.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.513 ' CE1' ' HB3' ' A' ' 78' ' ' LYS . 57.1 m-85 -137.08 140.51 42.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.911 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.456 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . 31.6 m-85 -141.21 136.15 31.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 30.4 t -117.88 117.59 29.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -85.1 132.33 34.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.101 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -60.1 -26.87 66.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.0 m -126.75 153.24 75.81 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.678 0.752 . . . . 0.0 110.837 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.563 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 53.8 Cg_endo -69.79 -38.23 8.01 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.645 2.23 . . . . 0.0 112.304 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -62.04 -26.52 68.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 97' ' ' GLN . 17.3 mt-10 -79.95 -56.8 4.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 96' ' ' GLU . 13.2 tt0 -35.43 -61.81 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -52.26 -56.77 12.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -43.01 -47.72 5.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.031 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.435 ' CD2' ' HD3' ' A' ' 13' ' ' LYS . 67.0 m95 -63.57 -61.14 2.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.942 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 75.8 mt -38.72 -35.52 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.124 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -86.33 -42.88 13.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.45 -63.76 1.19 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.092 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 13.6 ptp -72.69 -18.6 61.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -75.38 -47.53 12.49 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.471 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.535 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 5.3 pt-20 -56.81 -50.0 73.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.837 0.351 . . . . 0.0 110.86 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.535 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -54.41 -25.52 25.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -88.18 -33.66 18.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.081 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 16.4 ptt85 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 -179.898 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 54.6 t . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.933 0.397 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.3 m -86.81 -53.3 5.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.13 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 48.2 tttp -152.6 147.72 26.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.463 ' HB3' ' CZ2' ' A' ' 32' ' ' TRP . . . -151.07 132.75 14.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.09 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.419 ' HA2' ' CZ3' ' A' ' 32' ' ' TRP . . . -172.15 172.15 44.62 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.511 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -81.37 111.08 17.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.802 0.334 . . . . 0.0 110.915 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.551 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 22.4 mt -121.37 141.62 50.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.5 ' CE2' ' HB2' ' A' ' 30' ' ' LYS . 20.1 m-85 -88.74 116.27 26.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.5 tttm -92.4 123.33 35.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -66.05 141.39 58.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.086 179.894 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.801 0.334 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 27.7 m95 -124.66 142.77 51.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -117.96 104.02 10.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.5 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . 31.4 tttt -62.33 124.55 21.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.464 ' CD ' ' HA ' ' A' ' 44' ' ' LYS . 5.3 mmt85 -142.28 179.15 7.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.463 ' CZ2' ' HB3' ' A' ' 14' ' ' ALA . 74.5 t-105 -99.45 113.9 26.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.551 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 32.2 m-85 -100.44 139.83 35.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 61.6 t -133.2 96.49 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 30.9 tp -59.94 115.77 3.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.449 ' CG1' ' HB2' ' A' ' 39' ' ' CYS . 1.4 p -106.43 -179.65 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -57.09 116.96 3.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.3 mtm180 42.43 37.09 0.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.449 ' HB2' ' CG1' ' A' ' 36' ' ' VAL . 1.8 m -168.53 173.59 7.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.4 tp -150.37 130.73 13.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.962 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.427 ' CE1' ' HB2' ' A' ' 54' ' ' SER . 97.8 m-85 -125.49 148.47 48.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.653 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 55.5 p90 -121.48 167.29 13.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.653 ' CD1' ' C ' ' A' ' 42' ' ' TYR . 0.2 OUTLIER -156.18 174.75 14.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.927 -179.912 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.464 ' HA ' ' CD ' ' A' ' 31' ' ' ARG . 45.5 mttt -57.63 -49.0 77.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -150.36 -175.12 4.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 47' ' ' LYS . 7.4 pt-20 -54.19 -44.49 71.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 46' ' ' GLU . 21.6 mmmt -34.62 -38.52 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 59.29 49.55 8.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -53.69 -60.51 3.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.836 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 77.6 p -148.28 149.16 31.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.6 mt -70.01 138.44 22.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.116 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.569 ' HB2' ' CE2' ' A' ' 42' ' ' TYR . 55.1 mt -106.31 -32.5 8.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.524 ' HA3' ' CE1' ' A' ' 42' ' ' TYR . . . -157.76 153.48 24.68 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.491 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.427 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 16.2 p -112.46 135.62 52.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.836 0.35 . . . . 0.0 110.83 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 57.2 mt -124.13 105.1 31.8 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.594 0.711 . . . . 0.0 111.133 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 139.53 40.35 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.704 2.269 . . . . 0.0 112.338 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 19.8 mt -127.93 45.54 2.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.3 tp -65.81 -63.9 0.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.5 t -129.7 25.92 5.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -66.53 113.9 5.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -71.94 99.55 2.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 41.1 t -94.34 127.24 46.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -170.6 156.51 5.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.139 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -42.57 142.64 0.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.099 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.5 m -59.1 176.0 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.105 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -107.37 157.0 36.71 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.587 0.708 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -8.18 22.95 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.699 2.266 . . . . 0.0 112.384 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 72.3 m . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.822 -179.806 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.8 0.333 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.527 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 4.2 m-70 46.92 51.16 13.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.839 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 11.3 m -115.01 152.66 32.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.174 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.555 ' N ' ' CD1' ' A' ' 77' ' ' PHE . 0.5 OUTLIER -136.94 159.92 40.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 44.6 pttt -123.97 150.16 45.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -123.36 106.97 11.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -105.61 152.85 22.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.889 0.376 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.2 m -114.04 107.93 16.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.411 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 30.5 m-85 -89.95 171.52 9.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.411 ' CD1' ' O ' ' A' ' 87' ' ' TYR . 40.9 m-85 -148.06 125.89 11.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.87 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.499 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 51.2 m-85 -128.05 123.36 34.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.9 t -107.0 135.26 48.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.818 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -104.37 134.12 48.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.095 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -52.95 -44.51 67.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.3 m -112.81 159.13 35.58 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.662 0.744 . . . . 0.0 110.856 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.527 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 53.9 Cg_endo -69.79 -38.24 8.01 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.665 2.243 . . . . 0.0 112.335 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -59.33 -25.9 64.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -79.54 -55.5 4.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -40.84 -62.74 0.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.952 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -50.79 -56.11 13.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -45.56 -48.83 14.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 53.0 m95 -61.89 -57.52 11.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 85.2 mt -39.83 -37.25 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -83.27 -61.19 1.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.906 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -42.44 -63.25 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.101 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 2.9 ptp -73.65 -19.09 60.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -66.79 -52.13 35.92 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.469 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.496 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 7.7 pt-20 -55.16 -49.39 71.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.837 0.351 . . . . 0.0 110.876 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.496 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -46.37 -32.15 3.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -80.43 -35.4 35.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.091 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 71.0 mtt180 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.893 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 78.7 t . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.915 0.388 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 44.8 m -75.06 -59.69 2.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.122 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -148.56 156.14 42.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -158.37 130.92 7.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.413 ' HA2' ' CH2' ' A' ' 32' ' ' TRP . . . -168.59 163.71 37.41 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.44 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.554 ' CE3' ' HE2' ' A' ' 30' ' ' LYS . 90.4 m95 -74.38 119.65 18.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.807 0.337 . . . . 0.0 110.9 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.5 HD11 ' CE2' ' A' ' 100' ' ' TRP . 42.9 mt -130.47 160.79 33.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -108.8 114.62 28.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.6 tttm -88.79 125.12 34.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -70.37 120.01 15.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.072 179.906 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.767 0.317 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 58.6 m95 -124.75 130.23 52.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -122.36 142.88 50.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.554 ' HE2' ' CE3' ' A' ' 16' ' ' TRP . 37.8 tttt -84.57 142.72 29.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.3 tpp180 -161.07 152.05 18.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.413 ' CH2' ' HA2' ' A' ' 15' ' ' GLY . 39.4 t-105 -78.65 122.69 26.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.972 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.464 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 34.5 m-85 -114.25 141.81 47.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 84.0 t -140.0 106.43 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 34.7 tp -67.09 114.92 6.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.491 ' CG1' ' HB3' ' A' ' 39' ' ' CYS . 0.6 OUTLIER -104.84 -174.02 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.845 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 38' ' ' ARG . 4.7 m-20 -53.75 118.18 3.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 37' ' ' ASP . 28.7 mtm-85 34.28 41.32 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.491 ' HB3' ' CG1' ' A' ' 36' ' ' VAL . 1.6 t -171.77 163.95 6.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 48.1 tp -134.64 139.05 45.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -128.43 152.46 48.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.56 ' CE1' ' HB2' ' A' ' 52' ' ' LEU . 46.5 p90 -129.96 144.31 51.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.513 ' N ' ' CD1' ' A' ' 43' ' ' TYR . 0.4 OUTLIER -133.3 155.18 49.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 -179.911 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.2 mttp -39.43 -48.77 2.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.405 ' HA ' ' CH2' ' A' ' 16' ' ' TRP . 17.3 p-10 -158.75 -178.92 7.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.857 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 47' ' ' LYS . 20.8 mt-10 -44.32 -45.7 8.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 46' ' ' GLU . 30.3 mtpt -35.56 -36.03 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 46' ' ' GLU . 8.8 tt0 53.8 47.88 22.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -52.66 -59.96 3.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.0 t -151.48 151.44 31.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 95.7 mt -66.9 124.46 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.086 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.56 ' HB2' ' CE1' ' A' ' 42' ' ' TYR . 76.9 mt -89.33 -35.1 16.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.556 ' HA3' ' CE2' ' A' ' 42' ' ' TYR . . . -158.2 160.09 30.58 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.472 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.7 p -119.3 133.88 55.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.81 0.338 . . . . 0.0 110.839 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 52.3 mt -120.24 105.06 42.58 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.642 0.734 . . . . 0.0 111.114 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.598 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 53.6 Cg_endo -69.79 116.41 4.55 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.679 2.253 . . . . 0.0 112.339 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.406 ' CD1' ' HB2' ' A' ' 104' ' ' MET . 16.1 mt -106.03 40.46 1.58 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 13.4 tp -83.13 105.04 13.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 t 62.66 31.21 16.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.598 ' CE1' ' O ' ' A' ' 56' ' ' PRO . 5.4 m-85 -80.68 138.85 36.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.862 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -86.22 97.39 10.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 15.3 t -101.95 131.4 50.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.121 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -171.64 165.49 6.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.075 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.03 130.87 48.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.2 m -53.74 174.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -119.78 160.45 42.44 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.57 0.7 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -16.51 37.79 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.707 2.272 . . . . 0.0 112.334 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.6 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.849 -179.804 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.2 mtpt . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.796 0.331 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.514 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 2.2 m-70 43.35 51.05 6.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.857 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.485 ' CG2' ' O ' ' A' ' 89' ' ' PHE . 87.1 m -121.15 137.96 54.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.452 ' CZ ' ' HB2' ' A' ' 89' ' ' PHE . 7.3 p90 -121.74 165.62 15.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.558 ' HB3' ' CD1' ' A' ' 88' ' ' PHE . 5.1 pttm -129.35 152.73 48.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -140.26 106.62 5.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -130.11 147.96 51.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.816 -179.983 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.847 0.356 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 47.8 m -108.94 125.29 51.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.192 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -106.78 161.11 14.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.558 ' CD1' ' HB3' ' A' ' 78' ' ' LYS . 86.3 m-85 -144.04 133.59 23.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.882 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.485 ' O ' ' CG2' ' A' ' 76' ' ' THR . 58.8 m-85 -133.37 141.08 47.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 28.1 t -118.54 123.68 45.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -92.71 144.49 25.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.113 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -70.59 -25.63 63.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.1 t -130.05 150.13 75.14 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.609 0.719 . . . . 0.0 110.909 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.514 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 54.3 Cg_endo -69.77 -10.1 27.74 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.638 2.225 . . . . 0.0 112.384 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -85.72 -25.41 26.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -83.23 -46.18 12.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -43.41 -62.72 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -53.26 -56.99 12.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -44.74 -46.96 10.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.098 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.5 ' CE2' HD11 ' A' ' 17' ' ' LEU . 61.5 m95 -62.18 -55.52 27.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 94.2 mt -45.44 -34.3 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.084 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -86.71 -39.02 16.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.17 -60.33 3.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.052 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' MET . . . . . 0.406 ' HB2' ' CD1' ' A' ' 57' ' ' LEU . 8.9 ptp -74.26 -28.52 61.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.891 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -59.8 -48.98 83.4 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.525 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.497 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 8.3 pt-20 -59.17 -47.84 83.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.903 0.382 . . . . 0.0 110.915 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.497 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -45.23 -32.85 2.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.063 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.464 ' HB3' ' N ' ' A' ' 60' ' ' PHE . . . -74.7 -43.35 55.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.116 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 15.7 mtp85 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 -179.898 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.459 HG12 ' N ' ' A' ' 12' ' ' THR . 94.2 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.964 0.412 . . . . 0.0 111.107 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.459 ' N ' HG12 ' A' ' 11' ' ' VAL . 7.0 m -87.5 -55.7 3.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.42 ' HE3' ' CE2' ' A' ' 100' ' ' TRP . 61.4 tttp -151.97 150.36 29.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -152.55 131.65 12.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.138 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -172.75 164.86 37.11 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.481 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.479 ' CE3' ' HE3' ' A' ' 30' ' ' LYS . 91.6 m95 -72.99 113.25 9.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.802 0.334 . . . . 0.0 110.93 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.513 HD12 ' CD2' ' A' ' 100' ' ' TRP . 28.5 mt -126.63 137.42 53.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -86.09 122.34 29.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.9 tttm -94.92 117.98 31.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -38.57 152.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.423 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.423 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 9.1 pt20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.787 0.327 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.418 ' CZ3' ' HB2' ' A' ' 90' ' ' SER . 31.2 m95 -116.56 134.25 55.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -106.21 140.04 39.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.479 ' HE3' ' CE3' ' A' ' 16' ' ' TRP . 26.2 tttp -83.6 132.14 34.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.951 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.1 tpp85 -150.67 143.29 24.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 49.4 t-105 -69.26 122.75 19.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.465 ' CD2' ' HB2' ' A' ' 17' ' ' LEU . 26.2 m-85 -115.89 141.28 48.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.895 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 98.7 t -140.46 105.79 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.135 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 13' ' ' LYS . 28.9 tp -68.3 126.11 28.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.458 ' CG1' ' HB2' ' A' ' 39' ' ' CYS . 1.4 p -121.5 -178.61 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.403 ' H ' ' CG2' ' A' ' 36' ' ' VAL . 4.3 m-20 -52.46 115.23 1.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 19.7 mtm180 39.81 38.63 0.47 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.458 ' HB2' ' CG1' ' A' ' 36' ' ' VAL . 1.8 m -165.17 173.83 10.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 29.9 tp -151.73 111.83 4.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.527 ' CE1' ' HB2' ' A' ' 54' ' ' SER . 83.4 m-85 -97.99 154.44 17.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 35.7 p90 -140.86 144.78 35.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.523 ' N ' ' CD1' ' A' ' 43' ' ' TYR . 0.6 OUTLIER -130.66 161.06 32.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.913 -179.86 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.2 ttmt -52.82 -40.85 63.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.458 ' OD2' ' CG ' ' A' ' 47' ' ' LYS . 11.7 p-10 -156.05 -177.84 6.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -52.67 -39.55 61.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.46 ' CB ' ' OE2' ' A' ' 49' ' ' GLU . 6.6 mmmm -42.98 -28.11 0.24 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 47' ' ' LYS . 14.4 pt-20 34.89 47.59 0.27 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.46 ' OE2' ' CB ' ' A' ' 47' ' ' LYS . 41.5 mp0 -55.97 -51.65 66.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 53.2 p -148.42 138.06 22.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.511 HG12 ' CE2' ' A' ' 43' ' ' TYR . 80.9 mt -65.95 128.86 29.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.125 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.6 mt -93.23 -41.51 9.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -155.21 155.46 26.26 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.44 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.527 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 11.9 t -123.34 156.4 35.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.809 0.338 . . . . 0.0 110.859 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 25.9 mt -127.74 105.14 20.89 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.662 0.744 . . . . 0.0 111.119 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 107.44 1.85 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.698 2.265 . . . . 0.0 112.349 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 94.7 mt -100.06 57.05 0.96 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.2 tp -62.65 -68.72 0.31 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 56.0 p -131.72 32.11 4.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.836 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 81' ' ' HIS . 8.5 m-85 -65.96 158.52 27.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -111.3 99.25 8.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 17.2 t -94.24 127.86 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.15 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -169.2 174.41 6.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.069 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.16 133.93 56.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 17.4 m -61.31 161.87 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -99.96 156.91 34.77 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.639 0.733 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -0.03 6.33 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.671 2.247 . . . . 0.0 112.374 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 65.3 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.834 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 30.1 mttp . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.796 0.332 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.563 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 3.9 m-70 56.5 42.64 27.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.812 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 16.7 m -120.36 140.27 51.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.539 ' CE2' ' HB2' ' A' ' 89' ' ' PHE . 1.5 p90 -128.49 158.21 39.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.559 ' HB3' ' CD2' ' A' ' 88' ' ' PHE . 26.6 pttt -130.4 145.61 51.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -113.4 102.69 10.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -101.37 127.35 48.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.901 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 60' ' ' PHE . 50.2 t-80 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.8 ttt180 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.886 0.374 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 95.2 m -134.7 101.62 5.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.136 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -80.92 166.38 20.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.559 ' CD2' ' HB3' ' A' ' 78' ' ' LYS . 53.6 m-85 -138.03 151.71 48.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.539 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 33.7 m-85 -146.55 139.15 25.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' SER . . . . . 0.418 ' HB2' ' CZ3' ' A' ' 28' ' ' TRP . 26.8 t -122.54 118.44 28.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -90.09 140.37 29.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.102 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -64.64 -39.43 93.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.3 m -114.76 156.21 45.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.654 0.74 . . . . 0.0 110.911 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.563 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 54.2 Cg_endo -69.75 -30.39 22.39 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.733 2.289 . . . . 0.0 112.34 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -66.47 -35.97 81.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -72.85 -48.35 38.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -41.66 -65.17 0.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -53.26 -51.32 62.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -46.95 -45.73 21.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.513 ' CD2' HD12 ' A' ' 17' ' ' LEU . 57.3 m95 -67.16 -55.73 12.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 69.6 mt -41.67 -34.75 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -86.57 -51.68 6.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -48.91 -67.01 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 5.0 ptp -69.3 -25.42 64.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -62.26 -41.09 99.73 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.453 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -65.43 -41.97 92.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 110.853 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -52.85 -25.59 12.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.111 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -82.61 -24.82 33.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.052 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.2 ptt-85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.848 -179.874 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 96.4 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.87 0.367 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.0 m -88.55 -52.14 5.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.18 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.428 ' HD3' ' CB ' ' A' ' 103' ' ' ALA . 27.4 tttp -150.45 156.02 40.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -157.25 138.14 13.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.146 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.546 ' HA2' ' CZ3' ' A' ' 32' ' ' TRP . . . -178.69 161.29 27.67 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.518 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.475 ' CD1' ' CZ3' ' A' ' 32' ' ' TRP . 91.2 m95 -73.01 111.94 8.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.773 0.32 . . . . 0.0 110.913 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.49 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 18.7 mt -119.74 145.72 46.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.888 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -89.22 117.43 28.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -94.63 116.27 28.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.942 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -50.68 149.09 3.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 179.892 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.769 0.318 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 56.0 m95 -128.83 130.02 46.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 54.3 m-80 -109.42 112.57 24.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -55.95 130.52 44.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.463 ' NE ' ' HA ' ' A' ' 44' ' ' LYS . 2.2 tpm_? -147.94 148.22 30.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.845 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.547 ' CE2' ' OE1' ' A' ' 46' ' ' GLU . 68.8 t-105 -79.16 122.22 26.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.49 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 30.8 m-85 -113.0 140.29 47.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 53.8 t -132.82 110.52 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.156 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 47.4 tp -72.11 121.77 19.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.478 HG12 ' N ' ' A' ' 37' ' ' ASP . 1.1 p -116.6 -176.42 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.108 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 39' ' ' CYS . 21.0 p-10 -50.73 117.49 2.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 37' ' ' ASP . 76.1 mtt180 34.62 32.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.502 ' N ' ' O ' ' A' ' 37' ' ' ASP . 1.7 m -154.54 168.02 28.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.1 tp -144.49 123.53 12.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -110.27 169.95 8.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.538 ' CE1' ' HB2' ' A' ' 52' ' ' LEU . 20.4 p90 -151.34 142.33 23.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.974 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.504 ' CD2' ' HA ' ' A' ' 48' ' ' GLU . 0.8 OUTLIER -133.02 164.23 27.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.927 -179.902 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.463 ' HA ' ' NE ' ' A' ' 31' ' ' ARG . 34.8 mmtt -58.54 -40.84 84.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.92 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 46' ' ' GLU . 13.9 t70 -155.99 172.39 18.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.547 ' OE1' ' CE2' ' A' ' 32' ' ' TRP . 6.4 mm-40 -36.38 -41.81 0.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 46' ' ' GLU . 65.3 mttt -35.57 -46.44 0.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.504 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 5.5 pt-20 43.07 26.53 0.08 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -49.75 -62.24 1.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 60.4 p -120.44 129.37 53.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.855 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.426 HG12 ' CE2' ' A' ' 43' ' ' TYR . 68.5 mt -66.62 141.43 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.078 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.538 ' HB2' ' CE1' ' A' ' 42' ' ' TYR . 14.9 mt -99.86 -38.92 8.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.938 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -156.2 156.32 27.0 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.503 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 61.4 p -122.61 129.31 51.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.879 0.371 . . . . 0.0 110.821 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 30.8 mt -110.38 119.04 47.84 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.641 0.734 . . . . 0.0 111.137 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 136.66 33.6 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.657 2.238 . . . . 0.0 112.386 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 18.7 mt -124.86 40.44 3.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 55.8 tp -90.53 116.64 28.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.957 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 41.6 m 52.45 41.01 30.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.557 ' CE2' ' HB2' ' A' ' 81' ' ' HIS . 9.0 m-85 -89.31 158.23 17.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 27.8 ttt180 -109.89 95.22 5.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.863 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 48.2 t -97.08 128.32 48.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -173.02 155.16 2.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.102 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.431 ' N ' HD12 ' A' ' 101' ' ' ILE . . . -41.7 133.75 2.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.08 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 19.6 m -52.52 176.34 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.159 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -116.65 159.32 40.86 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.624 0.726 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -0.43 6.93 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.678 2.252 . . . . 0.0 112.326 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 39.3 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 -179.894 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.439 ' HE2' ' CE1' ' A' ' 75' ' ' HIS . 1.3 mmmm . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.783 0.325 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.547 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 2.3 m-70 68.64 45.47 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 17.7 m -119.51 147.0 44.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.423 ' CZ ' ' HB2' ' A' ' 89' ' ' PHE . 3.1 p90 -132.3 161.52 33.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 42.6 pttt -122.98 146.56 47.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -124.23 104.82 9.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.076 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -114.48 135.45 54.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.557 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . 7.4 t-160 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.92 0.391 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.6 m -114.36 104.81 12.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.1 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.452 ' HB3' ' CZ ' ' A' ' 89' ' ' PHE . 86.5 m-85 -94.02 136.4 34.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -112.86 135.15 53.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.452 ' CZ ' ' HB3' ' A' ' 87' ' ' TYR . 40.7 m-85 -139.06 123.52 18.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 48.5 t -105.2 122.22 45.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -92.82 133.3 36.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.101 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -54.13 -44.13 71.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 66.1 m -109.38 150.9 41.74 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.691 0.758 . . . . 0.0 110.814 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.547 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 54.2 Cg_endo -69.72 -25.97 28.23 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.642 2.228 . . . . 0.0 112.391 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -69.51 -31.27 69.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -76.35 -48.24 20.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -44.12 -57.7 3.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -58.16 -52.35 65.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -47.43 -49.04 26.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.418 ' CE2' HD13 ' A' ' 17' ' ' LEU . 63.1 m95 -58.79 -59.93 4.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.431 HD12 ' N ' ' A' ' 64' ' ' ALA . 96.2 mt -36.95 -35.59 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -86.83 -49.01 7.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.428 ' CB ' ' HD3' ' A' ' 13' ' ' LYS . . . -54.26 -56.5 17.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.089 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 10.0 ptp -78.56 -25.08 45.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -67.96 -42.21 85.95 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.498 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.409 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 6.2 pt-20 -59.37 -43.02 92.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.878 0.37 . . . . 0.0 110.842 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.409 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -60.36 -29.54 68.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.075 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -82.82 -38.37 23.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.075 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.447 HG13 ' CG1' ' A' ' 34' ' ' VAL . 76.0 t . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.91 0.386 . . . . 0.0 111.121 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.6 m -82.49 -47.49 12.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.119 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.45 ' HD3' ' CD2' ' A' ' 100' ' ' TRP . 36.3 tttp -156.95 153.45 28.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -156.85 131.3 8.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -175.13 161.53 30.85 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.509 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.472 ' CD2' ' HE2' ' A' ' 30' ' ' LYS . 94.6 m95 -74.71 114.06 12.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.826 0.346 . . . . 0.0 110.913 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.421 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 22.9 mt -122.72 144.03 49.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -92.7 126.34 37.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.2 tttm -105.0 133.3 50.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -64.35 140.74 58.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.948 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.106 179.923 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.785 0.326 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 43.6 m95 -128.4 133.41 48.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -115.21 130.12 56.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.472 ' HE2' ' CD2' ' A' ' 16' ' ' TRP . 43.6 tttt -71.07 139.9 50.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.7 tpp85 -156.97 143.56 18.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 75.3 t-105 -74.81 118.44 17.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.949 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.421 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 38.6 m-85 -112.71 136.79 51.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.447 ' CG1' HG13 ' A' ' 11' ' ' VAL . 89.7 t -134.96 100.49 2.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.6 tp -63.49 125.27 23.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.959 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.486 ' CG1' ' HB3' ' A' ' 39' ' ' CYS . 0.5 OUTLIER -114.31 -173.54 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.101 179.906 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 39' ' ' CYS . 2.2 t70 -56.9 124.45 18.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.465 ' C ' ' O ' ' A' ' 37' ' ' ASP . 18.2 mtt180 32.64 36.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.491 ' N ' ' O ' ' A' ' 37' ' ' ASP . 1.6 t -170.49 172.07 6.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.406 HD13 ' C ' ' A' ' 34' ' ' VAL . 7.3 tp -146.38 142.98 28.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -129.63 150.29 51.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.565 ' CE1' ' HB2' ' A' ' 52' ' ' LEU . 46.3 p90 -131.07 145.72 52.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.926 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.511 ' CG ' ' HA ' ' A' ' 48' ' ' GLU . 2.0 m-85 -130.2 157.91 41.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.6 tptm -50.18 -39.98 45.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -154.78 -177.09 6.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.909 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 48' ' ' GLU . 2.8 pp20? -49.13 -41.25 35.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.904 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.486 ' O ' ' C ' ' A' ' 48' ' ' GLU . 45.5 mttp -36.86 -30.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.511 ' HA ' ' CG ' ' A' ' 43' ' ' TYR . 6.6 pt-20 31.05 46.53 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -80.55 -53.88 6.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 89.3 p -117.75 131.77 56.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.46 HG12 ' CE2' ' A' ' 43' ' ' TYR . 55.1 mt -80.26 132.68 31.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.129 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.565 ' HB2' ' CE1' ' A' ' 42' ' ' TYR . 9.7 mt -92.27 -46.86 7.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.926 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.433 ' HA3' ' CE2' ' A' ' 42' ' ' TYR . . . -148.23 154.36 25.83 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.463 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 59.9 p -121.11 134.85 55.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.89 0.376 . . . . 0.0 110.847 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.402 ' HA ' ' HD2' ' A' ' 56' ' ' PRO . 22.2 mt -113.61 104.95 55.26 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.675 0.75 . . . . 0.0 111.152 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.588 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 54.3 Cg_endo -69.69 101.79 0.94 Allowed 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.705 2.27 . . . . 0.0 112.383 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.402 ' CD1' ' HB2' ' A' ' 104' ' ' MET . 60.1 mt -91.71 46.04 1.26 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.4 tp -69.07 -61.19 1.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 t -130.92 42.69 3.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.588 ' CE1' ' O ' ' A' ' 56' ' ' PRO . 5.8 m-85 -80.34 170.34 16.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 52.8 ttt180 -121.09 96.38 5.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.461 HG13 ' CG ' ' A' ' 104' ' ' MET . 40.1 t -99.96 128.96 51.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 64' ' ' ALA . . . -173.99 142.75 0.88 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 63' ' ' ALA . . . -35.31 132.05 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.09 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 22.7 m -54.02 -177.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.098 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -130.6 160.58 65.53 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.633 0.73 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -3.59 12.27 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.708 2.272 . . . . 0.0 112.32 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.875 -179.82 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.783 0.325 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.501 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 2.0 m-70 57.21 45.22 20.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.841 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 30.9 m -121.46 140.17 52.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.566 ' CE2' ' HB2' ' A' ' 89' ' ' PHE . 3.1 p90 -128.55 160.89 30.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.861 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.9 pttp -119.02 146.51 44.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -134.17 103.73 5.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.083 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -125.47 150.51 47.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.468 ' CD2' ' O ' ' A' ' 81' ' ' HIS . 22.4 t-160 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.871 0.367 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.5 m -110.0 108.94 19.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -91.49 169.75 10.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -149.1 119.88 7.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.84 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.566 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 54.8 m-85 -120.97 128.52 52.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 45.5 t -106.75 138.35 43.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.816 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -109.43 135.94 49.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.121 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -59.88 -44.79 94.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.9 p -108.22 151.68 41.53 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.639 0.733 . . . . 0.0 110.86 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.501 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 54.3 Cg_endo -69.76 -21.34 33.64 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.7 2.267 . . . . 0.0 112.363 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -73.61 -35.7 65.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -71.71 -49.23 41.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -40.81 -60.92 1.05 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -57.24 -51.73 68.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -44.51 -51.42 8.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.09 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.45 ' CD2' ' HD3' ' A' ' 13' ' ' LYS . 75.1 m95 -61.84 -59.74 4.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 100' ' ' TRP . 96.9 mt -36.73 -38.29 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.13 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -85.45 -47.45 9.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.944 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.4 -60.3 3.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.102 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' MET . . . . . 0.461 ' CG ' HG13 ' A' ' 62' ' ' VAL . 6.7 ptm -73.64 -33.73 64.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -60.71 -53.0 48.96 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.472 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.473 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 6.0 pt-20 -48.64 -46.57 40.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.875 0.369 . . . . 0.0 110.909 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.473 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -53.21 -33.52 53.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.147 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.57 -37.65 68.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 31.5 mtp180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.887 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 82.2 t . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.895 0.379 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.4 m -89.07 -50.96 5.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.094 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -153.23 149.1 27.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -148.28 129.22 14.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.086 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.52 ' HA2' ' CZ3' ' A' ' 32' ' ' TRP . . . -170.42 162.17 35.28 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.471 ' CD1' ' CZ3' ' A' ' 32' ' ' TRP . 91.6 m95 -75.5 117.65 17.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.824 0.345 . . . . 0.0 110.975 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.549 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 16.4 mt -124.28 127.76 48.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.949 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.563 ' CE1' ' HD2' ' A' ' 30' ' ' LYS . 10.7 m-85 -73.36 118.85 16.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 48.0 tttt -93.96 107.37 19.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -39.92 153.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.093 179.908 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.758 0.313 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 55.4 m95 -128.55 126.05 39.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.94 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -109.36 126.51 53.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.563 ' HD2' ' CE1' ' A' ' 18' ' ' PHE . 18.9 tttt -71.63 131.71 43.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.465 ' NE ' ' HA ' ' A' ' 44' ' ' LYS . 1.6 tpm_? -144.61 159.96 41.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.52 ' CZ3' ' HA2' ' A' ' 15' ' ' GLY . 56.4 t-105 -89.17 109.58 20.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.549 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 30.9 m-85 -103.84 128.59 51.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 67.5 t -127.56 103.28 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.155 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 15.3 tp -71.65 119.76 16.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.482 ' O ' ' C ' ' A' ' 37' ' ' ASP . 0.9 OUTLIER -86.87 -174.17 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.829 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.489 ' OD1' ' N ' ' A' ' 38' ' ' ARG . 1.8 p30 -30.68 -59.6 0.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.851 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.489 ' N ' ' OD1' ' A' ' 37' ' ' ASP . 3.1 mtt85 -131.21 -32.21 1.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 63.0 m -82.47 179.69 7.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 28.5 tp -139.85 112.26 7.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -102.05 171.33 7.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.459 ' CE2' ' HA3' ' A' ' 53' ' ' GLY . 42.5 p90 -154.71 154.04 32.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.928 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.531 ' CD2' ' HA ' ' A' ' 48' ' ' GLU . 0.9 OUTLIER -140.46 148.0 40.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.465 ' HA ' ' NE ' ' A' ' 31' ' ' ARG . 34.4 mmtt -47.3 -35.11 7.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.931 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.438 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 1.0 OUTLIER -146.4 -176.72 5.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.843 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -76.89 48.03 0.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.402 ' NZ ' ' HB2' ' A' ' 44' ' ' LYS . 8.3 pttm -100.13 -28.67 12.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.531 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 4.8 pt-20 39.72 43.06 1.08 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -102.36 -66.84 0.9 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.4 m -113.47 104.94 12.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.503 HG12 ' CE2' ' A' ' 43' ' ' TYR . 90.3 mt -59.94 134.83 25.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.129 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.448 ' CD1' ' HG2' ' A' ' 44' ' ' LYS . 8.0 mt -94.04 -41.96 9.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.459 ' HA3' ' CE2' ' A' ' 42' ' ' TYR . . . -150.06 144.0 11.41 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.505 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.9 t -110.12 145.79 36.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.873 0.368 . . . . 0.0 110.871 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.409 ' HA ' ' HD2' ' A' ' 56' ' ' PRO . 45.9 mt -126.4 105.08 24.54 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.616 0.722 . . . . 0.0 111.11 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 55' ' ' ILE . 54.0 Cg_endo -69.81 133.32 25.19 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.706 2.27 . . . . 0.0 112.357 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 81.6 mt -128.93 55.17 1.74 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.8 tp -76.89 -63.22 1.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.973 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.7 m -128.22 40.44 3.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.839 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -78.33 -179.82 6.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -129.97 92.31 3.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 8.2 t -98.84 131.08 46.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -174.14 157.34 2.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.119 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -42.74 137.02 2.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.122 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 23.8 m -64.66 -179.05 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.127 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.424 ' CD ' ' HD2' ' A' ' 67' ' ' PRO . 2.5 mm100 -131.01 161.85 59.15 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.575 0.702 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.424 ' HD2' ' CD ' ' A' ' 66' ' ' GLN . 53.8 Cg_endo -69.75 -9.07 25.21 Favored 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.672 2.248 . . . . 0.0 112.357 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.0 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.836 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.2 mmtm . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.796 0.331 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.486 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 2.5 m-70 65.21 41.86 4.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 10.3 m -120.63 136.47 54.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.468 ' CE2' ' HB2' ' A' ' 89' ' ' PHE . 6.8 p90 -124.16 162.97 22.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.514 ' HB3' ' CE1' ' A' ' 88' ' ' PHE . 32.7 pttt -129.95 144.44 51.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -125.59 118.41 25.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -133.17 150.24 52.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.882 0.372 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 2.2 m -115.83 100.19 7.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -86.94 158.87 19.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.514 ' CE1' ' HB3' ' A' ' 78' ' ' LYS . 63.2 m-85 -140.86 130.03 23.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.865 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.468 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 42.0 m-85 -134.14 137.31 44.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 31.0 t -114.44 129.92 56.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -96.47 138.66 33.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.1 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -58.49 -43.84 89.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.8 m -115.6 160.13 35.93 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.669 0.747 . . . . 0.0 110.866 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.486 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 53.9 Cg_endo -69.82 -35.82 11.76 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.652 2.235 . . . . 0.0 112.346 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -59.61 -39.59 84.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -67.22 -49.82 63.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -42.01 -62.45 0.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -56.54 -50.01 73.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -48.3 -46.32 36.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.469 ' O ' ' N ' ' A' ' 102' ' ' GLN . 65.1 m95 -65.22 -62.92 1.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.936 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.438 ' C ' ' O ' ' A' ' 100' ' ' TRP . 86.4 mt -34.66 -34.06 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.105 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 100' ' ' TRP . 24.9 mt-30 -88.51 -54.06 4.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.916 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.57 -51.76 45.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 7.8 ptm -81.14 -38.49 27.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -55.02 -48.54 66.91 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.488 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.402 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 5.5 pt-20 -53.28 -42.92 67.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.891 0.377 . . . . 0.0 110.898 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.402 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -57.58 -27.61 62.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.092 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -86.13 -33.56 20.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.126 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.918 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 95.7 t . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.922 0.391 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.3 m -90.22 -43.24 10.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 35.0 tttp -156.59 149.31 23.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -157.33 134.26 10.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.065 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.402 ' HA2' ' CZ3' ' A' ' 32' ' ' TRP . . . -174.28 162.75 33.24 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.558 ' CE3' ' HE2' ' A' ' 30' ' ' LYS . 92.4 m95 -73.93 107.84 6.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.782 0.325 . . . . 0.0 110.873 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.0 mt -120.18 129.7 54.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -78.62 116.48 19.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.88 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.1 tttt -88.2 139.94 29.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -81.95 127.02 32.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.098 179.884 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.786 0.327 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 45.5 m95 -119.51 154.11 34.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -140.56 133.26 28.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.558 ' HE2' ' CE3' ' A' ' 16' ' ' TRP . 21.5 tttm -70.01 127.62 33.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -147.72 142.8 27.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.402 ' CZ3' ' HA2' ' A' ' 15' ' ' GLY . 48.4 t-105 -76.48 121.68 23.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -113.97 139.32 49.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 48.6 t -134.3 106.1 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 25.2 tp -65.78 126.17 27.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.406 ' CG2' ' H ' ' A' ' 37' ' ' ASP . 2.3 p -120.91 179.25 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.406 ' H ' ' CG2' ' A' ' 36' ' ' VAL . 2.3 m-20 -51.59 114.83 1.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 57.3 mtt180 39.4 39.24 0.45 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.5 m -166.55 173.57 9.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.4 tp -151.53 124.7 8.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.554 ' CE1' ' HB2' ' A' ' 54' ' ' SER . 85.2 m-85 -110.79 153.04 25.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.599 ' CD2' ' O ' ' A' ' 53' ' ' GLY . 20.8 p90 -136.66 137.91 40.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.943 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.561 ' CE2' HG12 ' A' ' 51' ' ' ILE . 2.7 m-85 -121.07 159.51 25.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -47.52 -48.04 27.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.861 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -147.39 177.64 9.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -50.74 -41.85 56.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.862 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.8 mtpp -42.61 -32.18 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.547 ' HG2' ' CD1' ' A' ' 43' ' ' TYR . 41.4 mt-10 58.46 43.54 19.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -48.97 -60.62 2.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 t -149.73 147.11 27.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.846 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.561 HG12 ' CE2' ' A' ' 43' ' ' TYR . 69.4 mt -72.35 128.64 35.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.108 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.482 ' HB2' ' CE1' ' A' ' 42' ' ' TYR . 25.8 mt -94.32 -48.08 6.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.599 ' O ' ' CD2' ' A' ' 42' ' ' TYR . . . -152.58 143.26 10.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.485 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.554 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 31.3 t -110.66 149.56 30.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.899 0.38 . . . . 0.0 110.808 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.558 HG12 ' CE2' ' A' ' 87' ' ' TYR . 23.1 mt -120.71 108.16 37.51 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.647 0.736 . . . . 0.0 111.112 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.505 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 54.0 Cg_endo -69.76 99.92 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.666 2.244 . . . . 0.0 112.369 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 38.1 mt -82.53 51.28 1.82 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.3 tp -103.81 114.27 28.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 m 61.61 39.43 14.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.505 ' CE1' ' O ' ' A' ' 56' ' ' PRO . 7.6 m-85 -99.33 155.8 17.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 47.3 ttt85 -107.84 97.73 7.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 44.4 t -96.94 133.51 38.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.082 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -175.09 165.29 3.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.112 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -56.3 142.63 37.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.093 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 30.7 m -70.16 -174.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -133.59 161.45 63.68 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.586 0.707 . . . . 0.0 110.926 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 3.03 3.01 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.701 2.267 . . . . 0.0 112.359 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.9 m . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 -179.847 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.9 mmtm . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.821 0.343 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.558 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 1.4 m-70 51.41 47.04 25.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.915 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 23.6 m -124.91 139.85 53.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.54 ' CZ ' ' HB2' ' A' ' 89' ' ' PHE . 23.7 p90 -133.99 152.29 51.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 47.0 pttt -110.52 150.95 28.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -134.06 103.89 5.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.124 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -139.64 129.33 24.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.47 ' CD2' ' C ' ' A' ' 81' ' ' HIS . 1.1 t-160 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.0 ttp180 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.885 0.374 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 24.3 m -108.93 102.8 11.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.558 ' CE2' HG12 ' A' ' 55' ' ' ILE . 37.9 m-85 -83.62 118.91 24.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -102.88 141.9 34.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.54 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . 36.5 m-85 -140.19 125.47 18.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.9 t -106.82 112.92 26.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -83.39 133.38 34.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.107 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -49.09 -45.76 43.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.8 m -114.61 160.64 32.43 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.677 0.751 . . . . 0.0 110.849 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.558 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 53.5 Cg_endo -69.81 -29.77 23.09 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.681 2.254 . . . . 0.0 112.391 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -62.61 -39.36 93.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -68.61 -47.41 66.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.412 ' CD ' ' HA ' ' A' ' 75' ' ' HIS . 12.4 tt0 -45.22 -64.23 0.76 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -53.51 -48.9 68.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -49.69 -49.32 48.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.092 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 67.6 m95 -61.71 -58.34 8.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 81.4 mt -37.19 -37.31 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -87.15 -58.6 2.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -39.39 -67.3 0.23 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 11.6 ptp -72.5 -29.72 63.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -54.84 -53.02 42.24 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.533 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.403 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 4.7 pt-20 -55.64 -42.46 75.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.851 0.358 . . . . 0.0 110.89 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.403 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -64.37 -24.18 67.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.096 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -83.55 -42.01 17.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.086 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 8.7 ptt180 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.839 -179.881 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.443 HG22 ' N ' ' A' ' 12' ' ' THR . 11.8 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.891 0.377 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.443 ' N ' HG22 ' A' ' 11' ' ' VAL . 23.5 m -89.92 -52.96 4.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.7 tttp -150.57 153.44 35.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.935 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -157.29 137.31 12.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.087 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 179.83 169.32 39.92 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.45 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.511 ' CE3' ' HE2' ' A' ' 30' ' ' LYS . 98.4 m95 -77.77 123.4 26.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.804 0.335 . . . . 0.0 110.939 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.511 HD12 ' CE2' ' A' ' 100' ' ' TRP . 19.6 mt -133.75 131.4 39.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -79.74 115.54 19.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.6 tttm -91.29 126.28 36.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.417 ' OE1' ' CZ2' ' A' ' 28' ' ' TRP . 18.1 tt0 -63.67 134.66 55.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.888 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.76 0.314 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.417 ' CZ2' ' OE1' ' A' ' 20' ' ' GLN . 21.6 m95 -125.69 136.8 53.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -121.99 155.44 35.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.511 ' HE2' ' CE3' ' A' ' 16' ' ' TRP . 73.2 tttt -94.29 142.0 27.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -156.28 153.87 29.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.834 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 75.4 t-105 -85.62 114.2 22.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -106.61 139.82 40.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.406 ' CG1' HG23 ' A' ' 11' ' ' VAL . 71.7 t -134.99 103.73 4.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.111 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 27.2 tp -61.76 128.27 35.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.477 ' CG1' ' HB2' ' A' ' 39' ' ' CYS . 0.8 OUTLIER -123.11 178.74 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.162 179.848 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' A' ' 39' ' ' CYS . 6.6 p-10 -45.1 115.9 1.0 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.849 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 37' ' ' ASP . 50.0 mtt180 34.27 32.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.506 ' N ' ' O ' ' A' ' 37' ' ' ASP . 1.7 m -154.58 176.67 12.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 28.9 tp -151.87 127.5 10.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -115.02 160.44 19.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.554 ' CE2' ' HB2' ' A' ' 52' ' ' LEU . 48.6 p90 -141.26 141.21 34.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.94 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.485 ' CD2' ' HG3' ' A' ' 48' ' ' GLU . 1.4 m-85 -131.05 161.34 32.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.865 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp -48.46 -47.06 38.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.92 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -148.01 -178.86 6.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 47' ' ' LYS . 3.1 pp20? -53.87 -43.57 69.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 46' ' ' GLU . 5.6 mmmm -36.26 -43.42 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.485 ' HG3' ' CD2' ' A' ' 43' ' ' TYR . 24.5 tt0 70.7 45.0 0.6 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -47.68 -61.31 2.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 58.0 p -150.44 159.47 44.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 72.9 mt -81.31 129.77 36.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.102 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.554 ' HB2' ' CE2' ' A' ' 42' ' ' TYR . 6.7 mt -94.4 -47.17 6.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.956 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.411 ' CA ' ' CE1' ' A' ' 42' ' ' TYR . . . -150.46 151.49 23.52 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.481 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 24.6 p -114.24 135.18 54.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.833 0.349 . . . . 0.0 110.878 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 28.9 mt -115.67 104.99 52.44 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.628 0.728 . . . . 0.0 111.121 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 105.28 1.46 Allowed 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.64 2.227 . . . . 0.0 112.338 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 24.3 mt -86.68 44.54 1.17 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.3 tp -93.22 105.32 17.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.1 t 69.3 38.81 1.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.565 ' CD1' ' HB2' ' A' ' 81' ' ' HIS . 8.6 m-85 -101.87 124.84 48.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -78.42 102.12 7.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 46.3 t -96.22 128.22 47.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.058 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -174.89 151.5 1.39 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.063 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.84 143.44 1.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.087 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.5 m -50.39 -178.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.166 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -115.48 157.69 43.48 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.567 0.699 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -11.74 31.45 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.692 2.261 . . . . 0.0 112.322 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.853 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.777 0.322 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.51 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 3.5 m-70 38.37 42.69 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.824 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.431 HG23 ' N ' ' A' ' 77' ' ' PHE . 24.9 m -106.13 150.05 26.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.55 ' CZ ' ' HB2' ' A' ' 89' ' ' PHE . 21.8 p90 -139.82 152.49 46.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 46.7 pttt -117.96 151.32 37.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.854 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -125.59 103.02 7.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.059 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -120.0 130.15 54.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.565 ' HB2' ' CD1' ' A' ' 60' ' ' PHE . 1.2 t-160 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.904 0.383 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.5 m -140.1 106.31 5.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.101 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -81.78 166.57 19.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -144.96 118.85 9.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.55 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . 34.1 m-85 -124.51 132.74 53.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 31.9 t -113.75 115.55 27.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -85.74 130.8 34.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.068 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -50.07 -44.51 51.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.1 m -112.9 153.41 45.2 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.668 0.747 . . . . 0.0 110.845 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.51 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 53.8 Cg_endo -69.75 -19.76 35.76 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.698 2.265 . . . . 0.0 112.316 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -73.0 -36.58 67.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -72.56 -45.07 61.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -44.6 -56.37 4.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.936 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -60.82 -50.23 74.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -48.97 -47.23 44.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.102 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.511 ' CE2' HD12 ' A' ' 17' ' ' LEU . 57.6 m95 -64.03 -58.01 7.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 74.9 mt -38.74 -39.24 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.164 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -83.83 -55.29 4.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -43.39 -62.9 0.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 7.1 ptp -75.62 -27.33 58.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -58.45 -51.85 56.29 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.506 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -55.86 -41.81 74.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.359 . . . . 0.0 110.863 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.56 -29.85 69.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.082 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -87.95 -36.37 17.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.917 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.7 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.972 0.415 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.9 m -92.0 -50.6 5.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.198 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.6 tttp -154.18 152.07 29.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.936 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -159.75 134.81 8.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -176.16 164.93 35.13 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.413 ' CH2' ' HA ' ' A' ' 45' ' ' ASP . 92.4 m95 -74.37 110.87 9.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.824 0.345 . . . . 0.0 110.952 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.441 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 12.6 mt -119.86 140.14 51.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.507 ' CZ ' ' HD2' ' A' ' 30' ' ' LYS . 11.6 m-85 -86.47 118.93 26.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.9 tttt -95.45 124.06 39.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.911 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.443 ' NE2' ' CZ2' ' A' ' 28' ' ' TRP . 3.6 tp-100 -61.0 150.94 31.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 179.878 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.2 pt20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.823 0.344 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . 0.443 ' CZ2' ' NE2' ' A' ' 20' ' ' GLN . 40.2 m95 -122.34 130.43 53.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -107.48 122.12 45.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.507 ' HD2' ' CZ ' ' A' ' 18' ' ' PHE . 48.3 tttt -68.42 125.77 27.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.472 ' NE ' ' HA ' ' A' ' 44' ' ' LYS . 1.4 tpm_? -143.71 154.17 43.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 75.9 t-105 -83.3 117.15 22.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.441 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 37.9 m-85 -108.05 140.89 40.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.862 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 99.6 t -138.37 106.07 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.162 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.432 ' CD2' ' HB1' ' A' ' 103' ' ' ALA . 18.4 tp -68.21 123.57 21.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.474 ' CG1' ' HB2' ' A' ' 39' ' ' CYS . 1.1 p -117.18 -177.44 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.153 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' A' ' 39' ' ' CYS . 5.9 p-10 -48.16 114.88 1.02 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 37' ' ' ASP . 37.4 mtt180 36.2 31.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.474 ' HB2' ' CG1' ' A' ' 36' ' ' VAL . 1.7 m -153.57 175.62 13.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 32.5 tp -150.58 125.41 9.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.959 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -113.85 155.11 26.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.558 ' CE1' ' HB2' ' A' ' 52' ' ' LEU . 39.2 p90 -139.35 142.87 37.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.528 ' CD1' ' HG2' ' A' ' 48' ' ' GLU . 2.1 m-85 -130.93 153.8 48.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.472 ' HA ' ' NE ' ' A' ' 31' ' ' ARG . 25.1 mttm -42.47 -43.08 3.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.929 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.413 ' HA ' ' CH2' ' A' ' 16' ' ' TRP . 1.7 m-20 -151.71 -179.31 7.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.0 -17.83 19.98 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -58.96 -35.98 74.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.528 ' HG2' ' CD1' ' A' ' 43' ' ' TYR . 16.7 mt-10 55.73 42.69 28.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -54.89 -51.39 66.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 51.4 m -153.59 139.02 17.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 48.9 mt -65.54 132.17 31.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.11 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.558 ' HB2' ' CE1' ' A' ' 42' ' ' TYR . 91.9 mt -96.07 -43.85 7.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.936 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.444 ' HA3' ' CE2' ' A' ' 42' ' ' TYR . . . -150.81 150.51 22.51 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 53.0 p -119.17 126.79 52.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.842 0.353 . . . . 0.0 110.832 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 21.6 mt -104.71 104.93 48.48 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.605 0.717 . . . . 0.0 111.166 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.84 100.87 0.86 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.68 2.253 . . . . 0.0 112.301 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 38.5 mt -93.6 42.76 1.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.1 tp -59.19 -64.05 1.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 52.4 m -130.89 39.57 3.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.401 ' O ' ' CB ' ' A' ' 108' ' ' ALA . 5.6 m-85 -78.82 161.87 26.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 78.2 ttt-85 -115.08 93.99 4.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 6.5 t -95.53 129.39 45.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 64' ' ' ALA . . . -172.26 152.03 2.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.076 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 63' ' ' ALA . . . -35.59 150.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.075 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.9 m -62.96 171.32 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -99.47 155.18 36.8 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.599 0.714 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -2.59 10.45 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.645 2.23 . . . . 0.0 112.324 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 89.7 p . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.896 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 75' ' ' HIS . 22.5 mtpp . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.798 0.332 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.468 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 3.4 m-70 34.91 43.47 0.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.869 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.408 HG21 ' N ' ' A' ' 77' ' ' PHE . 89.3 m -106.93 142.33 36.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.124 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.566 ' CE2' ' HB2' ' A' ' 89' ' ' PHE . 3.3 p90 -125.82 158.64 34.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.7 pttt -115.01 150.12 36.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -129.92 107.64 9.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.081 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -141.33 124.19 16.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.432 ' CD2' ' C ' ' A' ' 81' ' ' HIS . 2.8 t-160 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.843 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 43.8 ttt180 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.87 0.367 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 17.6 m -122.44 107.73 12.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.119 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -86.36 156.6 20.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -130.96 119.76 22.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.566 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 56.1 m-85 -122.27 129.07 51.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 11.5 t -110.68 133.28 53.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.804 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -105.71 133.94 49.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -56.43 -39.92 73.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 72.3 m -117.74 151.95 49.23 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.668 0.746 . . . . 0.0 110.885 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.468 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 53.1 Cg_endo -69.84 -16.18 37.1 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.642 2.228 . . . . 0.0 112.365 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -78.63 -30.81 46.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -77.99 -40.23 39.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.876 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -48.68 -55.03 12.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -61.63 -55.43 30.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -43.12 -46.83 5.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.099 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.439 ' O ' ' C ' ' A' ' 101' ' ' ILE . 55.0 m95 -66.19 -65.34 0.69 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.439 ' C ' ' O ' ' A' ' 100' ' ' TRP . 81.8 mt -35.02 -39.06 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.1 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -79.41 -48.37 14.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.432 ' HB1' ' CD2' ' A' ' 35' ' ' LEU . . . -58.0 -55.7 31.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 4.7 ptm -74.3 -42.94 58.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -54.32 -53.36 38.43 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.472 ' HA ' ' NE ' ' A' ' 109' ' ' ARG . 4.0 pt-20 -53.44 -43.19 67.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.884 0.373 . . . . 0.0 110.906 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.418 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -52.12 -26.72 11.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.401 ' CB ' ' O ' ' A' ' 60' ' ' PHE . . . -76.92 -41.35 43.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.137 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.472 ' NE ' ' HA ' ' A' ' 106' ' ' GLU . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 91.0 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.944 0.402 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.2 m -85.09 -55.11 4.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -149.65 143.69 25.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -143.05 127.67 18.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -168.03 159.84 33.2 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.521 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.501 ' CE3' ' HE2' ' A' ' 30' ' ' LYS . 83.3 m95 -75.01 119.39 19.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.803 0.335 . . . . 0.0 110.895 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.517 HD12 ' CE2' ' A' ' 100' ' ' TRP . 29.4 mt -129.85 141.5 50.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -86.5 122.59 30.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.6 tttm -99.57 127.2 45.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -72.65 140.8 48.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.924 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.8 pt20 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.82 0.343 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 36.6 m95 -112.76 144.84 41.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -131.93 108.14 9.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.501 ' HE2' ' CE3' ' A' ' 16' ' ' TRP . 81.8 tttt -46.12 136.66 6.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.7 tpp180 -155.17 148.74 25.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.43 ' CZ3' ' CD1' ' A' ' 16' ' ' TRP . 67.4 t-105 -80.92 121.82 26.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -114.22 136.36 53.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 94.5 t -133.95 97.91 2.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.166 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 24.9 tp -58.35 132.26 53.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.455 HG13 ' CE2' ' A' ' 41' ' ' PHE . 1.2 p -123.85 -176.68 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.403 ' H ' ' CG2' ' A' ' 36' ' ' VAL . 2.6 m-20 -55.57 114.83 2.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.4 mtm180 40.26 38.27 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.432 ' HB2' ' CG1' ' A' ' 36' ' ' VAL . 2.0 m -166.13 175.58 8.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.8 tp -150.71 127.47 10.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.942 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 54' ' ' SER . 84.3 m-85 -118.09 154.55 31.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.531 ' CE1' ' O ' ' A' ' 53' ' ' GLY . 47.6 p90 -137.59 151.22 48.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.945 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.467 ' N ' ' CD1' ' A' ' 43' ' ' TYR . 2.0 m-85 -129.95 158.62 39.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.6 tttm -47.4 -48.05 26.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 46' ' ' GLU . 5.8 t70 -151.52 166.93 29.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.493 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 32.1 tt0 -44.32 -33.73 1.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -37.93 -35.46 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.911 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.426 ' OE2' ' CE1' ' A' ' 43' ' ' TYR . 18.0 mm-40 62.12 45.9 6.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.863 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -67.32 -57.15 7.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 67.6 m -155.71 151.1 26.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 85.0 mt -76.07 128.02 37.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.165 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.5 mp -88.21 -35.05 17.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.531 ' O ' ' CE1' ' A' ' 42' ' ' TYR . . . -167.92 153.08 22.04 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.569 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 12.0 p -112.3 149.99 31.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.927 0.394 . . . . 0.0 110.815 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 66.3 mt -121.82 117.37 29.88 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.637 0.732 . . . . 0.0 111.103 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 125.52 12.23 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.683 2.255 . . . . 0.0 112.357 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 58' ' ' LEU . 23.3 mt -120.99 22.78 10.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 57' ' ' LEU . 1.7 tp -34.73 -69.28 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 68.0 m -129.06 7.4 5.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.573 ' CZ ' ' HB2' ' A' ' 81' ' ' HIS . 8.0 m-85 -40.68 141.94 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -98.36 101.31 12.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 32.5 t -96.38 129.07 46.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -171.0 161.24 6.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.39 138.46 7.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.5 m -52.53 179.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.133 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -110.39 160.23 29.22 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.562 0.696 . . . . 0.0 110.917 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -16.37 37.54 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.71 2.273 . . . . 0.0 112.333 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.831 -179.802 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.4 mmmt . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.795 0.331 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.502 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 2.7 m-70 51.86 52.12 15.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 7.1 m -117.27 145.38 44.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.099 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.585 ' N ' ' CD1' ' A' ' 77' ' ' PHE . 0.3 OUTLIER -131.79 162.47 30.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.485 ' HB3' ' CE2' ' A' ' 88' ' ' PHE . 39.7 pttt -123.96 138.81 54.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.919 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -126.47 102.92 7.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -121.04 154.48 36.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.573 ' HB2' ' CZ ' ' A' ' 60' ' ' PHE . 10.0 t-160 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.8 ttt-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.858 0.361 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.48 HG22 ' CE1' ' A' ' 88' ' ' PHE . 4.2 m -124.3 105.52 9.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -85.76 150.81 24.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.485 ' CE2' ' HB3' ' A' ' 78' ' ' LYS . 40.6 m-85 -137.94 123.55 19.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.862 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.554 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 72.6 m-85 -121.45 140.58 51.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.7 t -119.84 130.83 55.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -104.86 126.61 52.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.095 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -53.05 -40.41 63.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.2 m -111.62 150.72 42.62 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.702 0.763 . . . . 0.0 110.848 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.502 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 53.9 Cg_endo -69.78 -29.97 22.93 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.713 2.275 . . . . 0.0 112.369 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -68.33 -25.53 65.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -80.71 -52.49 7.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -38.92 -59.8 0.93 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -58.69 -46.6 86.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -52.22 -45.04 65.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.088 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.517 ' CE2' HD12 ' A' ' 17' ' ' LEU . 64.1 m95 -68.9 -55.24 11.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 61.8 mt -43.1 -33.62 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.097 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -85.48 -51.49 6.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.81 -65.97 0.47 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.119 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.5 ptm -67.25 -27.23 67.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -63.26 -47.95 83.53 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.431 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 4.7 pt-20 -58.24 -44.13 88.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.824 0.345 . . . . 0.0 110.882 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.431 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -48.51 -33.58 9.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 60' ' ' PHE . . . -74.35 -43.19 57.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 33.0 mtp85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.925 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.457 HG12 ' N ' ' A' ' 12' ' ' THR . 62.2 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.894 0.378 . . . . 0.0 111.152 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.457 ' N ' HG12 ' A' ' 11' ' ' VAL . 20.6 m -84.02 -55.28 4.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.2 tttp -148.78 149.08 30.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -155.69 134.75 12.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.09 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.548 ' HA2' ' CZ3' ' A' ' 32' ' ' TRP . . . -176.59 163.77 33.06 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.494 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.448 ' CH2' ' HA ' ' A' ' 45' ' ' ASP . 95.0 m95 -73.57 117.31 15.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.809 0.338 . . . . 0.0 110.906 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.566 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 25.0 mt -128.2 139.67 52.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.47 ' CE2' ' HB2' ' A' ' 30' ' ' LYS . 3.6 m-85 -91.22 119.15 31.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.897 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.2 tttm -100.34 119.57 38.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -51.58 130.31 27.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.075 179.958 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.814 0.34 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 71.1 m95 -110.31 122.78 48.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -107.16 122.33 46.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.47 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . 21.2 tttm -68.23 126.39 29.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.7 tpp180 -142.93 150.88 40.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.548 ' CZ3' ' HA2' ' A' ' 15' ' ' GLY . 62.1 t-105 -81.2 123.13 28.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.566 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 38.0 m-85 -113.96 138.26 50.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.845 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.424 ' CG1' HG13 ' A' ' 11' ' ' VAL . 59.4 t -136.8 104.97 3.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.153 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 21.6 tp -73.33 120.0 18.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.479 HG13 ' N ' ' A' ' 37' ' ' ASP . 1.2 p -110.34 -177.09 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.118 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.479 ' N ' HG13 ' A' ' 36' ' ' VAL . 8.5 p-10 -43.73 115.73 0.85 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 37' ' ' ASP . 52.2 mtt180 35.68 32.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.467 ' N ' ' O ' ' A' ' 37' ' ' ASP . 4.0 m -154.06 172.12 18.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.0 tp -150.68 120.86 7.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.556 ' CE2' ' HB2' ' A' ' 54' ' ' SER . 79.7 m-85 -117.77 146.22 43.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.569 ' CE2' ' HB2' ' A' ' 52' ' ' LEU . 42.9 p90 -122.55 152.12 40.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.531 ' N ' ' CD1' ' A' ' 43' ' ' TYR . 0.5 OUTLIER -139.46 168.8 19.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.958 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -54.07 -43.77 70.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.448 ' HA ' ' CH2' ' A' ' 16' ' ' TRP . 3.2 m-20 -156.04 -175.41 5.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -48.0 -32.03 6.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 48' ' ' GLU . 37.7 mttp -45.03 -34.94 2.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.511 ' HA ' ' CG ' ' A' ' 43' ' ' TYR . 12.6 pt-20 34.54 44.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -88.52 -32.38 18.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.6 t -123.42 121.56 36.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.824 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.416 HG12 ' CE2' ' A' ' 43' ' ' TYR . 97.4 mt -78.0 131.65 34.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.098 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.569 ' HB2' ' CE2' ' A' ' 42' ' ' TYR . 10.9 mt -95.33 -47.48 6.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.942 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -155.62 154.05 25.23 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.524 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.556 ' HB2' ' CE2' ' A' ' 41' ' ' PHE . 21.8 p -116.98 136.73 52.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.796 0.331 . . . . 0.0 110.876 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 59.1 mt -118.87 104.88 46.21 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.602 0.715 . . . . 0.0 111.161 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.469 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 54.1 Cg_endo -69.7 93.55 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.365 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 84.7 mt -83.29 56.88 3.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.957 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.3 tp -88.05 -58.95 2.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.8 t -127.44 47.18 2.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.469 ' CE1' ' O ' ' A' ' 56' ' ' PRO . 9.5 m-85 -91.05 166.04 13.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 58.5 ttt180 -117.49 94.58 4.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.8 t -94.34 130.46 43.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 64' ' ' ALA . . . -175.11 148.07 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 63' ' ' ALA . . . -36.59 132.05 0.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.08 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 17.3 m -49.68 162.92 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -96.64 158.16 34.1 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.624 0.726 . . . . 0.0 110.93 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 1.59 4.29 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.722 2.282 . . . . 0.0 112.306 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 91.2 p . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.845 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.3 mtmm . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.818 0.342 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.508 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 3.5 m-70 58.78 46.48 14.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.435 HG23 ' N ' ' A' ' 77' ' ' PHE . 23.8 m -122.07 145.87 47.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.096 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.435 ' N ' HG23 ' A' ' 76' ' ' THR . 3.9 p90 -129.66 167.21 18.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.821 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.6 pttp -123.6 147.07 47.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -137.37 109.27 7.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.446 ' CB ' ' HA ' ' A' ' 86' ' ' THR . 3.0 pt-20 -135.62 148.37 48.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 -179.964 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.405 ' HG3' ' N ' ' A' ' 86' ' ' THR . 6.1 tpm_? . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.921 0.391 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.446 ' HA ' ' CB ' ' A' ' 80' ' ' GLU . 23.6 m -103.99 140.8 37.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.17 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -121.25 155.83 33.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.942 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -140.15 124.63 17.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.51 ' CE1' ' CE2' ' A' ' 33' ' ' PHE . 39.2 m-85 -130.84 131.34 44.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.6 t -106.95 130.67 54.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.837 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -100.94 132.13 46.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -50.04 -46.74 53.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.9 m -111.46 159.82 31.64 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.663 0.744 . . . . 0.0 110.827 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.508 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 54.2 Cg_endo -69.74 -31.82 19.88 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.714 2.276 . . . . 0.0 112.359 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -61.04 -40.57 94.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 97' ' ' GLN . 6.1 mt-10 -66.18 -55.3 16.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 96' ' ' GLU . 10.4 tt0 -37.7 -63.78 0.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -56.27 -49.04 75.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -46.69 -50.67 17.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.081 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.552 ' CZ2' HD13 ' A' ' 17' ' ' LEU . 70.8 m95 -61.51 -57.76 10.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.951 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 96.8 mt -38.93 -31.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -91.53 -51.55 5.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -49.62 -60.12 3.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' MET . . . . . 0.425 ' HG3' ' N ' ' A' ' 105' ' ' GLY . 17.3 ptp -76.63 -35.83 57.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.869 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.425 ' N ' ' HG3' ' A' ' 104' ' ' MET . . . -56.34 -42.61 89.23 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.451 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -65.2 -38.66 91.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.862 0.363 . . . . 0.0 110.874 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -68.9 -23.62 64.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.078 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -92.3 -36.65 13.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 -179.928 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.84 0.353 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.6 m -97.16 -51.47 4.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.9 tttp -152.06 146.11 25.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -149.87 127.12 11.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -169.36 163.49 37.11 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.452 ' CE3' ' HE2' ' A' ' 30' ' ' LYS . 95.4 m95 -75.4 115.57 15.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.813 0.339 . . . . 0.0 110.901 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.459 HD11 ' CE2' ' A' ' 100' ' ' TRP . 33.8 mt -125.24 139.23 53.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -89.89 118.81 29.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.5 tttm -96.79 127.27 42.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -66.03 134.86 53.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.915 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.081 179.927 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.785 0.326 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 65.6 m95 -123.82 126.08 45.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -111.76 121.64 45.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.452 ' HE2' ' CE3' ' A' ' 16' ' ' TRP . 81.0 tttt -63.39 137.88 58.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 -157.71 148.34 20.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 70.5 t-105 -79.93 117.96 21.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -111.82 131.41 55.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 94.7 t -129.43 104.11 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.171 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 15.0 tp -61.53 132.66 54.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.492 ' CG1' ' HB3' ' A' ' 39' ' ' CYS . 0.8 OUTLIER -125.81 -173.41 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.139 179.855 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' A' ' 39' ' ' CYS . 7.3 t0 -55.11 121.97 9.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.49 ' C ' ' O ' ' A' ' 37' ' ' ASP . 7.4 mtt85 30.27 38.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.506 ' N ' ' O ' ' A' ' 37' ' ' ASP . 1.6 t -168.96 171.99 7.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.5 tp -145.17 139.96 27.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -127.01 150.03 49.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.546 ' CE2' ' HA3' ' A' ' 53' ' ' GLY . 43.4 p90 -130.94 144.16 51.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.531 ' CD2' ' HA ' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -130.34 162.09 29.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.912 -179.887 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.3 tttm -55.36 -42.47 73.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.885 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.79 177.53 9.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.846 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -51.57 -25.46 6.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.479 ' O ' ' C ' ' A' ' 48' ' ' GLU . 20.0 mmtm -48.05 -32.28 6.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.531 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 2.4 pp20? 32.02 37.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 47' ' ' LYS . 7.0 mm-40 -72.7 -35.4 67.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 83.0 p -139.02 126.54 21.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.1 mt -69.04 141.38 17.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.41 ' HB2' ' CE1' ' A' ' 42' ' ' TYR . 22.7 mt -103.54 -43.43 5.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.964 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.546 ' HA3' ' CE2' ' A' ' 42' ' ' TYR . . . -146.43 151.18 23.47 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.462 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 84.3 p -117.11 136.5 52.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.87 0.367 . . . . 0.0 110.854 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 17.5 mt -119.54 106.07 42.81 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.653 0.739 . . . . 0.0 111.123 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 97.33 0.63 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.73 2.286 . . . . 0.0 112.356 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 13.9 mt -81.02 41.91 0.61 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.3 tp -92.91 113.23 25.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 m 63.93 39.57 8.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.42 ' CD1' ' HB2' ' A' ' 81' ' ' HIS . 7.2 m-85 -103.67 142.79 33.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.821 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 39.3 ttp180 -99.21 111.67 24.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.879 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.3 t -106.43 131.54 55.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.159 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -174.25 158.75 3.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.43 143.43 6.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.057 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 30.3 m -66.2 -178.15 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -129.48 161.34 59.5 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.655 0.741 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 2.01 3.95 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.686 2.258 . . . . 0.0 112.336 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.888 -179.871 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.7 mtmt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.843 0.354 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.552 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 3.9 m-70 39.16 44.4 0.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.2 m -117.84 129.56 55.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.409 ' CZ ' ' HB2' ' A' ' 89' ' ' PHE . 13.0 p90 -120.92 159.89 24.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 41.3 pttt -125.76 147.06 49.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -121.09 107.42 12.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.179 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 62.6 tt0 -131.53 136.89 48.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.841 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.484 ' C ' ' CD2' ' A' ' 81' ' ' HIS . 1.8 t-160 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.916 0.389 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.435 HG21 ' CE1' ' A' ' 88' ' ' PHE . 15.4 m -128.55 100.93 5.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -85.97 160.28 19.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.435 ' CE1' HG21 ' A' ' 86' ' ' THR . 87.1 m-85 -142.42 134.46 27.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.856 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.409 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . 30.3 m-85 -137.81 140.4 40.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 16.1 t -119.04 107.69 13.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.24 129.53 35.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -51.6 -44.86 62.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.4 m -112.3 157.31 40.35 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.663 0.744 . . . . 0.0 110.845 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.552 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 53.5 Cg_endo -69.72 -33.94 15.71 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.704 2.269 . . . . 0.0 112.322 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -62.45 -31.48 72.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -75.18 -48.58 22.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -42.69 -65.75 0.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.957 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -53.09 -48.71 67.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -49.91 -46.25 51.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.459 ' CE2' HD11 ' A' ' 17' ' ' LEU . 59.6 m95 -66.84 -58.8 4.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 59.6 mt -39.23 -34.51 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -88.45 -47.01 8.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.2 -61.91 1.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 6.2 ptp -76.04 -21.8 56.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -68.73 -46.18 62.27 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.503 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.411 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 6.9 pt-20 -61.3 -43.11 99.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.851 0.358 . . . . 0.0 110.861 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.411 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -51.62 -30.65 22.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.122 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.14 -43.41 70.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.079 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.851 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 85.3 t . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.897 0.38 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.8 m -83.85 -54.89 4.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.5 tttp -151.27 151.55 31.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -155.27 135.1 12.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.074 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -171.8 168.34 41.43 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.46 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.444 ' CE3' ' HE2' ' A' ' 30' ' ' LYS . 93.3 m95 -78.14 118.14 20.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.777 0.322 . . . . 0.0 110.921 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.544 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 60.2 mt -131.2 141.52 50.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.951 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -90.91 131.11 36.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -104.69 110.37 22.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -51.08 129.06 23.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.108 179.944 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.829 0.347 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 30.7 m95 -98.04 145.58 26.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 -126.67 109.57 12.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.934 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.444 ' HE2' ' CE3' ' A' ' 16' ' ' TRP . 74.7 tttt -51.24 140.12 17.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.49 148.5 23.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.458 ' CD1' ' HA ' ' A' ' 46' ' ' GLU . 65.5 t-105 -81.59 123.35 28.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.544 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 50.7 m-85 -114.41 146.11 41.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 60.3 t -143.82 106.49 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 45.2 tp -63.17 131.48 48.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.96 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.501 ' CG1' ' HB3' ' A' ' 39' ' ' CYS . 0.9 OUTLIER -129.0 -173.73 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.152 179.86 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.469 ' O ' ' C ' ' A' ' 38' ' ' ARG . 1.3 m-20 -49.32 115.49 1.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.469 ' C ' ' O ' ' A' ' 37' ' ' ASP . 12.7 mtm105 30.75 43.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.501 ' HB3' ' CG1' ' A' ' 36' ' ' VAL . 1.2 t -166.6 170.82 12.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.5 tp -143.97 123.46 13.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.533 ' CE1' ' HB2' ' A' ' 54' ' ' SER . 82.7 m-85 -110.64 149.6 30.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.7 p90 -132.49 139.94 48.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.543 ' CE2' HG12 ' A' ' 51' ' ' ILE . 0.3 OUTLIER -128.93 163.71 24.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.9 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.418 ' HG2' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -47.45 -43.47 24.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.926 179.898 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -153.23 -176.16 5.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.458 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 8.9 pt-20 -50.91 -33.7 25.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -43.17 -38.36 2.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.5 ' HA ' ' CG ' ' A' ' 43' ' ' TYR . 14.6 pt-20 41.1 33.68 0.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -65.44 -40.13 92.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 41.5 t -133.97 139.81 46.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.543 HG12 ' CE2' ' A' ' 43' ' ' TYR . 44.5 mt -87.31 135.73 24.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.147 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.418 ' CD1' ' HG2' ' A' ' 44' ' ' LYS . 6.2 mt -103.34 -46.62 4.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -151.56 146.41 15.18 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.475 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.533 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 10.9 t -114.65 159.89 19.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.841 0.353 . . . . 0.0 110.883 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 29.2 mt -132.01 118.08 16.26 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.646 0.736 . . . . 0.0 111.137 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.557 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 53.6 Cg_endo -69.73 118.25 5.57 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.703 2.269 . . . . 0.0 112.315 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 19.4 mt -108.8 53.3 0.69 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.446 ' O ' ' NE2' ' A' ' 81' ' ' HIS . 21.6 tp -101.15 111.15 23.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.5 t 60.93 26.43 16.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.557 ' CE1' ' O ' ' A' ' 56' ' ' PRO . 5.2 m-85 -76.08 158.15 32.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -110.67 93.51 4.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.0 t -97.01 123.59 49.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 64' ' ' ALA . . . -168.11 146.4 4.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.061 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 63' ' ' ALA . . . -36.41 139.73 0.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.4 m -50.93 179.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.431 ' CD ' ' HD2' ' A' ' 67' ' ' PRO . 5.0 mm-40 -111.05 161.86 23.2 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.647 0.737 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.431 ' HD2' ' CD ' ' A' ' 66' ' ' GLN . 53.8 Cg_endo -69.7 -21.58 33.55 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.735 2.29 . . . . 0.0 112.378 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 83.7 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.822 -179.806 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 75' ' ' HIS . 28.8 mttp . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.761 0.315 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 74' ' ' LYS . 2.6 m-70 34.54 53.26 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.849 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.409 HG23 ' N ' ' A' ' 77' ' ' PHE . 90.7 m -116.34 138.19 51.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.086 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.467 ' CZ ' ' HB2' ' A' ' 89' ' ' PHE . 18.3 p90 -121.15 160.7 23.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.845 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 36.4 pttt -119.43 141.73 48.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -133.72 108.92 8.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.7 pm0 -128.21 156.3 43.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.451 ' HB2' ' CZ ' ' A' ' 60' ' ' PHE . 9.2 t-160 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 26.9 ttm180 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.843 0.354 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.6 m -112.07 131.64 55.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -106.71 139.71 40.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -118.08 118.95 33.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.467 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . 64.8 m-85 -123.32 135.08 54.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 42.5 t -112.14 132.07 55.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.827 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -104.92 126.92 52.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.121 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -48.3 -40.86 26.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.945 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.7 m -117.68 154.51 50.93 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.685 0.755 . . . . 0.0 110.849 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.4 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 53.8 Cg_endo -69.75 -26.69 27.36 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.674 2.249 . . . . 0.0 112.318 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -68.81 -35.86 77.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -72.25 -44.74 62.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -47.13 -60.45 2.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -56.49 -49.49 74.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -49.4 -46.32 47.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.104 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 54.1 m95 -66.88 -55.08 16.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 81.8 mt -41.69 -34.88 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.149 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -87.12 -50.62 6.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -51.3 -57.63 8.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.1 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 5.2 ptp -80.28 -17.24 52.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -71.27 -43.82 54.24 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.506 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.412 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 5.0 pt-20 -66.2 -42.44 88.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.926 0.393 . . . . 0.0 110.925 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.412 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -51.85 -31.69 28.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.077 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.89 -44.53 66.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.099 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.861 -179.869 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.465 HG23 ' N ' ' A' ' 12' ' ' THR . 7.6 p . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.914 0.388 . . . . 0.0 111.131 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.465 ' N ' HG23 ' A' ' 11' ' ' VAL . 8.1 m -92.97 -47.76 6.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.0 tttp -154.73 158.31 39.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -162.66 132.73 4.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.098 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -171.32 163.02 35.79 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.525 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.564 ' CE3' ' HE2' ' A' ' 30' ' ' LYS . 97.4 m95 -75.62 109.5 9.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.785 0.326 . . . . 0.0 110.899 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.527 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 33.6 mt -118.82 140.05 50.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -89.92 120.35 31.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.2 tttm -98.47 130.23 45.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -70.01 137.47 51.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.053 179.907 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.798 0.332 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 61.6 m95 -110.87 124.72 52.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.923 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -106.99 122.52 46.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.564 ' HE2' ' CE3' ' A' ' 16' ' ' TRP . 79.4 tttt -70.1 129.24 38.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -145.94 152.19 39.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 56.3 t-105 -78.98 115.18 18.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.937 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.527 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 41.2 m-85 -107.06 136.76 46.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 93.4 t -135.2 112.29 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 32.6 tp -73.76 148.78 42.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.518 ' O ' ' C ' ' A' ' 37' ' ' ASP . 8.9 p -131.62 174.01 13.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.137 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.518 ' C ' ' O ' ' A' ' 36' ' ' VAL . 4.2 t0 -28.02 -73.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -132.48 52.25 2.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.41 ' C ' HG13 ' A' ' 36' ' ' VAL . 1.7 t -175.74 170.67 2.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.8 tp -135.31 129.82 34.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.534 ' CE2' ' HB2' ' A' ' 54' ' ' SER . 86.8 m-85 -121.35 148.71 44.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.551 ' CE1' ' HB2' ' A' ' 52' ' ' LEU . 50.6 p90 -129.36 148.15 51.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.556 ' CE2' HG12 ' A' ' 51' ' ' ILE . 0.4 OUTLIER -132.97 158.91 41.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.952 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.8 mmmp? -45.13 -46.48 11.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.8 p-10 -151.56 171.17 18.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -45.35 -35.94 3.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -42.58 -36.1 1.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.501 ' HG2' ' CG ' ' A' ' 43' ' ' TYR . 22.5 mt-10 58.34 39.13 25.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -53.44 -47.63 69.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.4 m -152.22 160.93 43.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.556 HG12 ' CE2' ' A' ' 43' ' ' TYR . 72.5 mt -93.94 128.78 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.131 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.551 ' HB2' ' CE1' ' A' ' 42' ' ' TYR . 11.4 mt -88.9 -48.19 7.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.458 ' O ' ' CE2' ' A' ' 42' ' ' TYR . . . -160.43 151.18 21.68 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.534 ' HB2' ' CE2' ' A' ' 41' ' ' PHE . 26.0 t -110.27 148.88 31.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.867 0.365 . . . . 0.0 110.821 -179.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.567 HG21 ' CE2' ' A' ' 87' ' ' TYR . 29.9 mt -118.1 117.68 34.98 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.643 0.735 . . . . 0.0 111.095 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.585 ' O ' ' CE2' ' A' ' 60' ' ' PHE . 54.2 Cg_endo -69.75 134.19 27.42 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.686 2.258 . . . . 0.0 112.357 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.405 ' O ' ' CD1' ' A' ' 60' ' ' PHE . 48.1 mt -113.8 -29.48 7.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 57' ' ' LEU . 17.9 tp -37.17 104.04 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.1 t 74.69 54.81 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.585 ' CE2' ' O ' ' A' ' 56' ' ' PRO . 5.0 m-85 -122.36 145.05 48.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.833 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -95.66 96.56 9.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 44.9 t -98.82 126.87 51.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.14 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -175.33 155.46 1.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.26 137.04 2.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 33.9 m -59.8 -175.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -134.72 161.0 66.33 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.553 0.692 . . . . 0.0 110.94 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 0.71 5.24 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.676 2.251 . . . . 0.0 112.365 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.858 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.832 0.349 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.404 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 2.5 m-70 59.55 45.97 12.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.2 m -121.68 144.15 48.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.174 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.557 ' CZ ' ' HB2' ' A' ' 89' ' ' PHE . 19.7 p90 -132.56 159.76 38.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -117.11 147.45 42.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -133.42 105.44 6.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.145 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -142.7 132.25 23.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 27.7 ttm180 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.917 0.389 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.7 m -110.19 105.77 14.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.567 ' CE2' HG21 ' A' ' 55' ' ' ILE . 72.3 m-85 -84.53 124.5 31.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.92 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -103.53 130.27 50.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.557 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . 55.0 m-85 -135.46 134.32 39.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.895 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 41.5 t -116.96 110.61 18.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.14 136.61 42.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.086 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -53.67 -41.41 66.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.1 m -121.57 157.07 57.6 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.706 0.765 . . . . 0.0 110.834 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.404 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 53.7 Cg_endo -69.77 -18.86 36.72 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.654 2.236 . . . . 0.0 112.319 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -72.45 -37.17 68.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 97' ' ' GLN . 12.6 mm-40 -77.67 -47.95 17.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.874 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 96' ' ' GLU . 14.7 tt0 -34.83 -54.15 0.56 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -66.47 -46.95 74.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -47.83 -46.94 31.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.442 ' O ' ' N ' ' A' ' 102' ' ' GLN . 77.9 m95 -65.65 -61.38 2.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.924 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.413 ' C ' ' O ' ' A' ' 100' ' ' TRP . 96.6 mt -36.29 -32.89 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 100' ' ' TRP . 22.3 mt-30 -91.6 -47.28 7.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.94 -53.79 52.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 6.9 ptm -81.31 -31.94 33.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.849 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -64.57 -39.24 96.64 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.478 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.455 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 6.3 pt-20 -63.43 -45.05 92.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.842 0.353 . . . . 0.0 110.85 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.455 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -56.23 -32.17 64.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.066 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.84 -46.03 86.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.073 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 -179.913 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.3 p . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.898 0.38 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.1 m -96.55 -45.98 6.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.14 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.0 tttp -155.68 150.84 26.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -155.64 134.76 12.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.082 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.524 ' HA2' ' CZ3' ' A' ' 32' ' ' TRP . . . -171.6 161.03 33.2 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.463 ' CD1' ' CZ3' ' A' ' 32' ' ' TRP . 90.2 m95 -73.04 106.62 4.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.799 0.333 . . . . 0.0 110.928 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.558 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 18.4 mt -116.97 140.28 49.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -87.13 117.79 26.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.1 tttm -97.98 116.98 31.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -60.11 128.17 35.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 179.92 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.833 0.349 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 37.9 m95 -94.87 137.76 33.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -122.03 102.41 8.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.462 ' HE2' ' CE3' ' A' ' 16' ' ' TRP . 61.3 tttt -45.0 127.95 6.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.3 tpp180 -145.79 147.95 32.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.524 ' CZ3' ' HA2' ' A' ' 15' ' ' GLY . 60.4 t-105 -78.51 120.54 23.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.558 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 30.0 m-85 -110.33 147.02 34.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 60.5 t -145.42 106.96 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.163 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.4 tp -66.03 132.93 49.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.468 ' CG1' ' HB2' ' A' ' 39' ' ' CYS . 1.5 p -124.78 -179.96 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.74 112.5 0.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 40.4 mtt85 39.13 41.02 0.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.468 ' HB2' ' CG1' ' A' ' 36' ' ' VAL . 1.8 m -164.8 175.38 9.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 31.0 tp -149.01 128.06 12.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -118.41 162.87 17.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 18.8 p90 -145.33 147.08 31.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.49 ' N ' ' CD1' ' A' ' 43' ' ' TYR . 0.6 OUTLIER -135.13 163.07 30.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.924 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.6 mtmm -57.11 -36.87 71.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.417 ' HA ' ' CH2' ' A' ' 16' ' ' TRP . 20.6 t70 -155.2 170.31 22.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.863 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -47.65 -30.38 3.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.423 ' C ' ' HG2' ' A' ' 48' ' ' GLU . 33.1 mttm -49.97 -33.52 17.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.924 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.423 ' HG2' ' C ' ' A' ' 47' ' ' LYS . 12.1 pt-20 38.78 53.03 1.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -58.97 -56.15 25.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 30.0 t -144.68 120.15 10.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.854 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 69.2 mt -45.05 143.23 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.134 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.9 mt -110.71 -41.86 4.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -145.15 145.64 15.13 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.5 p -113.42 131.65 55.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.902 0.382 . . . . 0.0 110.863 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 69.4 mt -113.25 104.98 55.68 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.646 0.736 . . . . 0.0 111.164 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.402 ' O ' ' CZ ' ' A' ' 60' ' ' PHE . 53.8 Cg_endo -69.8 136.38 32.73 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.683 2.255 . . . . 0.0 112.344 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 26.4 mt -116.47 -16.32 10.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 11.0 tp -48.44 105.76 0.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.6 t 74.38 51.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.831 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.566 ' CE2' ' HB2' ' A' ' 81' ' ' HIS . 5.8 m-85 -118.35 -179.54 3.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -134.46 96.73 3.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 47.0 t -97.67 127.95 49.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 64' ' ' ALA . . . -173.18 149.47 1.81 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 63' ' ' ALA . . . -34.69 147.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.078 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.2 m -54.42 173.73 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.096 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -102.13 161.55 23.04 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.579 0.704 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -21.09 34.04 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.718 2.279 . . . . 0.0 112.312 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.855 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.4 mtmm . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.812 0.339 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.442 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 4.1 m-70 68.24 41.5 1.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.879 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.459 HG23 ' N ' ' A' ' 77' ' ' PHE . 64.8 m -108.85 142.54 39.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.541 ' CE2' ' HB2' ' A' ' 89' ' ' PHE . 1.9 p90 -130.34 156.9 43.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.842 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.6 pttt -122.31 153.46 38.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -132.87 120.48 21.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.072 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.405 ' HG2' ' N ' ' A' ' 81' ' ' HIS . 42.7 tt0 -116.69 159.09 22.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.566 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . 13.6 t-160 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.839 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.853 0.359 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.9 m -105.48 100.4 9.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.144 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -81.95 150.0 27.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -128.72 123.45 33.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.541 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 43.1 m-85 -122.46 129.21 51.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 13.2 t -107.08 126.51 52.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -102.33 130.54 49.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.128 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -53.4 -44.52 68.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.0 m -112.22 156.92 41.29 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.65 0.738 . . . . 0.0 110.862 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.442 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 54.7 Cg_endo -69.72 -33.66 16.31 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.671 2.247 . . . . 0.0 112.374 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -59.64 -38.66 81.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 97' ' ' GLN . 5.7 mt-10 -69.36 -57.41 5.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 96' ' ' GLU . 11.8 tt0 -35.88 -64.35 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -53.87 -60.23 3.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -39.31 -53.89 1.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.079 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.503 ' CE2' HD11 ' A' ' 17' ' ' LEU . 61.4 m95 -57.1 -59.87 4.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . 0.422 ' C ' ' O ' ' A' ' 100' ' ' TRP . 96.6 mt -36.06 -32.53 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.08 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 100' ' ' TRP . 6.5 mm100 -91.01 -61.31 1.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 102' ' ' GLN . . . -37.36 -53.3 1.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.097 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' MET . . . . . 0.455 ' HG3' ' N ' ' A' ' 105' ' ' GLY . 18.1 ptp -85.03 -37.22 20.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.455 ' N ' ' HG3' ' A' ' 104' ' ' MET . . . -51.4 -55.87 17.67 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.484 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.452 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 5.3 pt-20 -45.52 -46.01 13.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.86 0.362 . . . . 0.0 110.918 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.452 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -53.25 -31.18 42.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.119 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -91.85 -34.33 14.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.979 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.415 HG22 ' CG1' ' A' ' 34' ' ' VAL . 9.9 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.942 0.401 . . . . 0.0 111.092 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.5 m -99.57 -45.74 5.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.158 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.505 ' HE2' ' CE2' ' A' ' 100' ' ' TRP . 44.8 tttt -155.02 143.12 20.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.53 ' HB2' ' CZ2' ' A' ' 32' ' ' TRP . . . -145.26 137.54 25.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.141 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -175.07 163.35 33.46 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.469 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 92.2 m95 -81.72 116.99 21.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.813 0.339 . . . . 0.0 110.919 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.528 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 29.4 mt -124.63 172.87 8.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.56 ' CZ ' ' HD3' ' A' ' 30' ' ' LYS . 9.7 m-85 -115.71 117.49 30.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.8 tttm -97.21 127.04 42.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -62.81 145.82 54.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.084 179.955 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.757 0.313 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 70.4 m95 -129.83 120.21 24.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -103.1 118.93 37.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.867 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.56 ' HD3' ' CZ ' ' A' ' 18' ' ' PHE . 5.7 ttpm? -79.42 126.77 31.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.473 ' NE ' ' HA ' ' A' ' 44' ' ' LYS . 20.0 mmt-85 -138.03 164.84 28.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.53 ' CZ2' ' HB2' ' A' ' 14' ' ' ALA . 67.1 t-105 -82.45 112.62 19.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.528 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 46.5 m-85 -99.95 138.39 37.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.415 ' CG1' HG22 ' A' ' 11' ' ' VAL . 44.8 t -134.87 96.2 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.9 tp -64.81 112.92 3.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.471 ' CG1' ' HB2' ' A' ' 39' ' ' CYS . 0.9 OUTLIER -101.13 -178.48 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 179.832 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.46 ' N ' HG13 ' A' ' 36' ' ' VAL . 18.3 m-20 -50.51 111.25 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 24.8 mtt85 43.59 40.08 2.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.866 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.471 ' HB2' ' CG1' ' A' ' 36' ' ' VAL . 1.6 m -166.05 167.13 16.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 41.2 tp -142.9 129.01 19.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.459 ' CE1' ' HB2' ' A' ' 54' ' ' SER . 96.8 m-85 -127.01 147.98 50.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.563 ' CE2' ' HB2' ' A' ' 52' ' ' LEU . 22.0 p90 -121.8 166.53 14.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.542 ' CD1' ' C ' ' A' ' 42' ' ' TYR . 0.5 OUTLIER -149.94 162.42 40.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.91 -179.905 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.473 ' HA ' ' NE ' ' A' ' 31' ' ' ARG . 63.1 mttt -51.53 -31.77 25.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.893 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -171.58 169.53 6.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.931 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.409 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 2.0 pp20? -41.58 -28.51 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.875 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -42.04 -41.72 2.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.528 ' HG2' ' CE2' ' A' ' 43' ' ' TYR . 3.9 tt0 52.56 53.32 12.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -87.78 -27.56 22.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 47.5 t -162.86 144.59 10.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.541 HG12 ' CE2' ' A' ' 43' ' ' TYR . 41.7 mt -90.64 130.57 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.112 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.563 ' HB2' ' CE2' ' A' ' 42' ' ' TYR . 1.1 mm? -86.13 -39.36 16.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.936 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -151.8 162.69 29.79 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.475 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.459 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 30.8 p -116.59 142.27 47.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.813 0.339 . . . . 0.0 110.829 -179.687 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 47.4 mt -123.37 104.99 34.04 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.646 0.736 . . . . 0.0 111.117 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 135.26 30.01 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.689 2.259 . . . . 0.0 112.35 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 41.7 mt -129.55 55.6 1.76 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.6 tp -77.75 -68.99 0.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 95.1 p -126.01 26.26 6.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 81' ' ' HIS . 6.7 m-85 -60.7 175.89 0.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.916 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 34.7 ttt180 -127.84 95.77 4.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.8 t -96.92 128.36 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.085 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -168.66 179.79 4.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.149 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.14 144.61 54.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 12.1 m -70.33 -177.2 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.118 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.49 ' NE2' ' HA ' ' A' ' 66' ' ' GLN . 2.4 mm-40 -129.91 164.98 36.72 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.532 0.682 . . . . 0.0 110.952 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -13.1 34.27 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.72 2.28 . . . . 0.0 112.39 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.5 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.883 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.409 ' NZ ' ' HB3' ' A' ' 74' ' ' LYS . 1.4 mmmp? . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.769 0.318 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.513 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 0.9 OUTLIER 59.65 36.46 22.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.819 179.893 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.405 ' CG2' ' O ' ' A' ' 89' ' ' PHE . 25.4 m -116.63 140.57 49.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.129 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.469 ' CE2' ' HB2' ' A' ' 89' ' ' PHE . 6.5 p90 -130.75 158.15 40.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.558 ' HB3' ' CE1' ' A' ' 88' ' ' PHE . 30.3 pttt -121.34 155.93 33.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -129.08 118.11 21.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -119.8 144.08 47.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 60' ' ' PHE . 9.5 t-80 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.912 0.387 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.9 m -116.55 101.06 8.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.173 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -84.34 166.54 17.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.558 ' CE1' ' HB3' ' A' ' 78' ' ' LYS . 60.9 m-85 -145.07 141.68 29.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.859 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.469 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 49.2 m-85 -140.1 137.81 34.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.7 t -120.3 130.16 54.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.843 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -101.63 143.16 31.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.086 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -71.96 -18.54 61.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 45.1 m -131.35 150.81 77.49 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.67 0.748 . . . . 0.0 110.842 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.513 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 53.3 Cg_endo -69.85 -30.19 22.27 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.7 2.266 . . . . 0.0 112.306 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -70.99 -26.97 63.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -78.35 -46.79 19.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.418 ' CD ' ' HA ' ' A' ' 75' ' ' HIS . 11.2 tt0 -45.37 -66.75 0.36 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 99' ' ' ALA . 22.9 mm-40 -50.94 -60.94 2.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 98' ' ' GLU . . . -38.07 -42.98 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.505 ' CE2' ' HE2' ' A' ' 13' ' ' LYS . 42.2 m95 -70.61 -55.56 8.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 72.1 mt -43.77 -29.13 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.125 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -90.63 -55.12 3.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -49.48 -53.12 24.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.098 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' MET . . . . . 0.415 ' HG2' ' N ' ' A' ' 105' ' ' GLY . 3.9 ptm -80.75 -35.55 33.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.415 ' N ' ' HG2' ' A' ' 104' ' ' MET . . . -52.31 -53.03 33.39 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.46 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.488 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 8.8 pt-20 -50.96 -49.49 59.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.909 0.385 . . . . 0.0 110.9 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.488 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -47.25 -25.98 1.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.098 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -86.99 -35.07 19.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.082 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.886 -179.898 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 97.1 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.915 0.388 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 71.8 m -91.18 -44.03 9.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.507 ' HE2' ' CE2' ' A' ' 100' ' ' TRP . 31.5 tttt -157.88 154.26 27.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -160.2 135.24 7.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.112 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.447 ' HA2' ' CZ3' ' A' ' 32' ' ' TRP . . . -176.16 166.26 37.26 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.463 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.563 ' CE3' ' HE2' ' A' ' 30' ' ' LYS . 93.1 m95 -78.65 118.38 20.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.791 0.329 . . . . 0.0 110.923 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.2 mt -127.29 161.77 27.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -104.69 119.93 40.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.4 tttt -103.02 128.46 49.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -57.37 144.83 34.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.112 179.918 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.802 0.334 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 40.7 m95 -87.44 134.07 33.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -117.16 147.13 42.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.926 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.563 ' HE2' ' CE3' ' A' ' 16' ' ' TRP . 25.3 tttt -89.89 133.66 34.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -150.74 154.09 36.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.447 ' CZ3' ' HA2' ' A' ' 15' ' ' GLY . 52.7 t-105 -79.31 115.47 18.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.951 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -107.98 132.37 53.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.841 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 62.4 t -130.94 111.71 20.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.109 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 22.2 tp -76.85 143.63 39.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.509 ' O ' ' C ' ' A' ' 37' ' ' ASP . 5.4 p -126.88 174.85 9.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.121 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.509 ' C ' ' O ' ' A' ' 36' ' ' VAL . 1.0 OUTLIER -29.25 -75.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.919 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.405 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 6.3 mtm180 -128.18 50.77 2.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.48 ' HB2' ' CG1' ' A' ' 36' ' ' VAL . 1.5 m -170.78 178.78 3.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 50.1 tp -147.42 112.54 5.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -107.49 145.69 32.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.414 ' CE1' ' HB2' ' A' ' 52' ' ' LEU . 53.1 p90 -129.59 155.15 46.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.529 ' N ' ' CD1' ' A' ' 43' ' ' TYR . 0.3 OUTLIER -139.79 156.46 46.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.891 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.5 mtpm? -47.31 -45.91 24.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -145.15 178.06 8.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -48.79 -37.89 20.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.854 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -39.01 -36.42 0.28 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.464 ' HA ' ' CG ' ' A' ' 43' ' ' TYR . 10.6 pt-20 34.41 46.73 0.18 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -75.83 -41.49 52.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.5 p -128.92 122.45 30.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.443 HG12 ' CE2' ' A' ' 43' ' ' TYR . 72.3 mt -67.09 131.51 32.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.181 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.414 ' HB2' ' CE1' ' A' ' 42' ' ' TYR . 70.2 mt -88.97 -44.15 10.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -160.22 151.62 22.26 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.511 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 59.4 p -116.51 137.21 52.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.864 0.364 . . . . 0.0 110.849 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.4 ' HA ' ' HD2' ' A' ' 56' ' ' PRO . 19.0 mt -114.29 108.53 50.02 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.605 0.717 . . . . 0.0 111.129 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.509 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 53.7 Cg_endo -69.74 96.79 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.715 2.277 . . . . 0.0 112.321 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.566 HD21 ' CD2' ' A' ' 60' ' ' PHE . 58.5 mt -84.76 50.72 1.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.2 tp -68.3 -60.69 2.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 73.3 m -132.32 42.78 3.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.812 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.566 ' CD2' HD21 ' A' ' 57' ' ' LEU . 3.5 m-85 -68.4 144.0 54.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.477 ' O ' ' C ' ' A' ' 62' ' ' VAL . 3.4 ptm85 -84.31 25.04 0.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.87 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.485 HG11 ' CG ' ' A' ' 104' ' ' MET . 24.0 t -31.46 113.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.178 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -176.24 153.15 1.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -39.79 137.48 0.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.124 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 25.9 m -55.43 152.41 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -80.23 161.4 65.35 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.608 0.718 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 -6.58 18.94 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.702 2.268 . . . . 0.0 112.352 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 57.6 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 -179.854 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 75' ' ' HIS . 23.5 mtpp . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.783 0.325 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.567 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 2.2 m-70 38.1 42.87 0.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.847 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 57.0 m -109.19 139.49 44.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.508 ' N ' ' CD1' ' A' ' 77' ' ' PHE . 1.0 OUTLIER -126.97 159.59 33.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 29.4 pttt -122.46 142.77 50.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.944 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -131.87 110.68 10.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.115 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.451 ' CB ' ' HA ' ' A' ' 86' ' ' THR . 2.2 pt-20 -137.02 141.04 42.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.479 ' HB2' ' CE1' ' A' ' 60' ' ' PHE . 25.1 t-80 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.472 ' HG2' ' N ' ' A' ' 86' ' ' THR . 39.6 ttt180 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.914 0.388 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.472 ' N ' ' HG2' ' A' ' 85' ' ' ARG . 4.4 m -104.54 139.29 39.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -127.44 145.36 50.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -122.73 121.38 36.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.846 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -120.42 135.01 55.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.1 t -111.99 141.53 45.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.817 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -118.06 124.66 48.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.151 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -49.32 -41.11 37.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 65.3 m -114.74 153.6 46.86 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.705 0.764 . . . . 0.0 110.828 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.567 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 54.2 Cg_endo -69.72 -18.6 37.09 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.662 2.242 . . . . 0.0 112.362 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -74.37 -41.56 60.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -66.93 -41.72 86.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.422 ' CD ' ' HA ' ' A' ' 75' ' ' HIS . 14.2 tt0 -51.31 -58.68 5.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -61.08 -51.54 68.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.421 ' HB1' ' NZ ' ' A' ' 13' ' ' LYS . . . -46.57 -49.76 18.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.05 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.507 ' CE2' ' HE2' ' A' ' 13' ' ' LYS . 47.2 m95 -62.66 -56.85 13.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 61.2 mt -42.19 -32.46 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.133 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -90.01 -42.14 11.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.939 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.98 -64.55 0.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' MET . . . . . 0.485 ' CG ' HG11 ' A' ' 62' ' ' VAL . 11.4 ptp -75.32 -30.25 60.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -54.55 -53.35 39.24 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.433 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 4.2 pt-20 -49.02 -44.68 41.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.843 0.354 . . . . 0.0 110.886 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.433 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -54.38 -27.62 37.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.123 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -81.28 -40.54 23.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.074 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 13.1 mtp180 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.872 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.7 p . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.901 0.381 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.8 m -96.09 -50.62 4.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 43.4 tttp -151.95 144.2 23.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -149.83 127.91 11.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.125 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.441 ' HA2' ' CZ3' ' A' ' 32' ' ' TRP . . . -167.52 162.51 36.3 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.453 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -73.64 110.63 8.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.839 0.352 . . . . 0.0 110.95 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.504 HD13 ' CE2' ' A' ' 100' ' ' TRP . 12.6 mt -117.78 160.74 20.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.501 ' CZ ' ' HD2' ' A' ' 30' ' ' LYS . 17.6 m-85 -105.81 114.36 28.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.1 tttm -91.63 115.45 28.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -48.15 154.12 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.056 179.952 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.8 pt20 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.775 0.322 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 36.7 m95 -104.83 144.73 31.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -116.0 118.51 33.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.501 ' HD2' ' CZ ' ' A' ' 18' ' ' PHE . 63.8 tttt -65.19 142.09 58.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -164.78 145.37 7.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.441 ' CZ3' ' HA2' ' A' ' 15' ' ' GLY . 64.6 t-105 -71.09 117.96 13.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -109.42 137.97 46.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 44.4 t -137.46 107.5 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.7 tp -75.92 137.8 40.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.473 HG11 ' N ' ' A' ' 37' ' ' ASP . 1.1 p -116.39 -175.49 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.153 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.473 ' N ' HG11 ' A' ' 36' ' ' VAL . 4.3 m-20 -35.77 -73.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -129.01 53.63 1.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.6 t -175.22 177.92 1.8 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 29.2 tp -144.24 122.51 12.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.949 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -114.3 147.24 39.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 43.2 p90 -129.85 144.41 51.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.491 ' CE2' HG12 ' A' ' 51' ' ' ILE . 1.3 m-85 -131.69 156.71 45.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.2 mtpt -50.08 -36.9 31.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.5 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 2.0 p30 -152.41 -176.97 5.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -62.06 -35.2 77.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 26.5 mtpt -43.58 -39.11 3.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 57.75 48.11 14.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -57.19 -51.59 68.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 21.2 t -148.53 145.94 28.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.491 HG12 ' CE2' ' A' ' 43' ' ' TYR . 77.4 mt -77.1 126.4 37.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.123 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 44.2 mt -90.7 -47.82 7.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -150.56 153.15 24.86 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.461 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 74.1 p -127.53 128.16 45.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.802 0.334 . . . . 0.0 110.876 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 22.4 mt -98.07 117.81 64.51 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.593 0.711 . . . . 0.0 111.166 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 119.73 6.63 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.692 2.261 . . . . 0.0 112.308 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 83.3 mt -116.88 57.28 0.79 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.4 tp -77.46 -69.63 0.52 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 t -126.42 31.32 5.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.648 ' CE1' ' ND1' ' A' ' 81' ' ' HIS . 6.3 m-85 -66.14 177.18 1.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.929 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 80' ' ' GLU . 65.8 ttt180 -127.55 103.75 7.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 25.5 t -100.43 129.86 50.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -173.58 163.16 4.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.099 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -53.27 125.8 18.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.109 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 20.3 m -46.54 156.7 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.142 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.432 ' CD ' ' HD2' ' A' ' 67' ' ' PRO . 2.3 mm100 -83.29 161.67 56.43 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.626 0.727 . . . . 0.0 110.883 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.432 ' HD2' ' CD ' ' A' ' 66' ' ' GLN . 54.2 Cg_endo -69.72 -7.7 21.71 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.667 2.245 . . . . 0.0 112.386 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 74.2 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.881 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.0 mttm . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.831 0.348 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.552 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 2.0 m-70 41.75 47.7 3.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.846 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.403 HG22 ' N ' ' A' ' 77' ' ' PHE . 21.0 m -124.28 142.35 51.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.169 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.512 ' N ' ' CD1' ' A' ' 77' ' ' PHE . 0.7 OUTLIER -130.31 159.14 37.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 36.9 pttt -126.07 150.09 48.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -115.44 103.3 10.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -107.93 140.07 41.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.648 ' ND1' ' CE1' ' A' ' 60' ' ' PHE . 9.3 t-160 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.491 ' HD2' ' CZ ' ' A' ' 87' ' ' TYR . 10.3 ptp180 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.907 0.384 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.469 HG22 ' CE1' ' A' ' 88' ' ' PHE . 95.5 m -135.75 123.07 21.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.491 ' CZ ' ' HD2' ' A' ' 85' ' ' ARG . 74.0 m-85 -94.43 171.72 8.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.469 ' CE1' HG22 ' A' ' 86' ' ' THR . 30.2 m-85 -147.33 136.44 22.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.834 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -137.81 137.51 38.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.0 t -111.92 139.58 47.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.83 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -110.57 126.51 54.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.135 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -53.06 -40.41 63.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 69.2 m -117.24 153.6 49.95 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.659 0.742 . . . . 0.0 110.846 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.552 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 54.0 Cg_endo -69.76 -23.83 30.37 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.656 2.237 . . . . 0.0 112.367 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -67.91 -34.93 77.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 97' ' ' GLN . 4.1 mm-40 -77.34 -49.03 15.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 96' ' ' GLU . 13.9 tt0 -36.08 -53.31 0.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -68.78 -46.65 68.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -46.8 -47.17 21.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.103 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.504 ' CE2' HD13 ' A' ' 17' ' ' LEU . 69.2 m95 -68.61 -57.01 6.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 71.5 mt -41.04 -31.03 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.094 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -91.19 -39.28 12.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.87 -62.96 1.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' MET . . . . . 0.434 ' HG3' ' N ' ' A' ' 105' ' ' GLY . 6.6 ptp -72.01 -30.02 64.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.434 ' N ' ' HG3' ' A' ' 104' ' ' MET . . . -63.88 -51.41 53.77 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.487 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.416 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 6.0 pt-20 -51.55 -43.53 62.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.855 0.359 . . . . 0.0 110.898 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.416 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -53.81 -32.25 51.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.125 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -82.88 -37.5 24.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.079 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 28.9 mtt85 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.921 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.456 HG12 ' N ' ' A' ' 12' ' ' THR . 86.4 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.936 0.398 . . . . 0.0 111.115 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.456 ' N ' HG12 ' A' ' 11' ' ' VAL . 96.7 m -87.66 -54.62 4.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.132 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' ' 35' ' ' LEU . 15.5 tttm -154.7 146.47 23.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -152.24 127.5 9.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.063 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.511 ' HA2' ' CZ3' ' A' ' 32' ' ' TRP . . . -162.42 165.93 36.32 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.446 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.483 ' CD1' ' CZ3' ' A' ' 32' ' ' TRP . 88.7 m95 -78.19 112.03 14.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.776 0.322 . . . . 0.0 110.93 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 31.8 mt -124.94 155.51 39.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.461 ' CE2' ' HB2' ' A' ' 30' ' ' LYS . 4.4 m-85 -101.14 131.54 47.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.3 tttm -107.37 119.72 40.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -60.37 111.82 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.055 179.957 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.787 0.327 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 77.9 m95 -121.77 129.92 53.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -105.85 122.75 46.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.487 ' O ' ' NE ' ' A' ' 31' ' ' ARG . 51.4 tttt -81.87 115.0 20.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.937 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.487 ' NE ' ' O ' ' A' ' 30' ' ' LYS . 7.1 mmp_? -128.69 -176.57 3.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.834 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.511 ' CZ3' ' HA2' ' A' ' 15' ' ' GLY . 72.2 t-105 -111.06 113.81 26.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -100.44 138.05 38.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 88.1 t -131.64 96.67 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.106 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 13' ' ' LYS . 21.5 tp -63.92 120.92 12.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.491 ' O ' ' C ' ' A' ' 37' ' ' ASP . 0.9 OUTLIER -92.75 -173.51 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.878 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.491 ' C ' ' O ' ' A' ' 36' ' ' VAL . 6.7 t70 -30.4 -63.33 0.14 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.6 mtm-85 -131.14 -31.56 1.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 61.6 m -85.73 175.51 8.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 39.8 tp -133.44 143.21 48.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -136.26 168.27 19.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.637 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 47.7 p90 -141.48 165.29 27.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.637 ' CD1' ' C ' ' A' ' 42' ' ' TYR . 0.3 OUTLIER -151.24 154.53 36.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.933 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.441 ' O ' ' CG ' ' A' ' 45' ' ' ASP . 4.3 tppt? -48.93 -40.2 29.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.95 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.441 ' CG ' ' O ' ' A' ' 44' ' ' LYS . 1.1 m-20 -163.78 178.22 8.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 47' ' ' LYS . 11.0 mm-40 -44.57 -33.39 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 46' ' ' GLU . 28.5 mtmm -35.38 -43.63 0.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 46.47 30.99 1.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -65.76 -20.43 66.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.5 t -170.17 150.05 3.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.546 HG12 ' CE2' ' A' ' 43' ' ' TYR . 85.4 mt -87.92 121.27 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.165 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.8 mp -77.24 -30.98 54.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.493 ' O ' ' CG2' ' A' ' 51' ' ' ILE . . . -159.05 178.28 35.28 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.6 t -136.49 146.59 46.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.82 0.343 . . . . 0.0 110.82 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.416 ' HA ' ' HD2' ' A' ' 56' ' ' PRO . 19.3 mt -136.48 105.07 9.22 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.634 0.73 . . . . 0.0 111.139 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PRO . . . . . 0.596 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 53.6 Cg_endo -69.77 123.77 10.42 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.619 2.212 . . . . 0.0 112.365 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.3 mt -104.08 51.99 0.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 25.8 tp -108.13 109.26 20.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.593 ' O ' ' CD2' ' A' ' 81' ' ' HIS . 3.3 t 73.46 25.0 2.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.596 ' CE1' ' O ' ' A' ' 56' ' ' PRO . 8.3 m-85 -86.38 142.19 28.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -98.43 91.1 5.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 13.8 t -94.86 123.76 47.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 64' ' ' ALA . . . -166.01 146.88 6.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 63' ' ' ALA . . . -35.75 131.38 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.115 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.5 m -54.42 162.96 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -101.55 159.75 28.53 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.587 0.708 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -10.38 28.44 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.705 2.27 . . . . 0.0 112.361 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 34.3 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.841 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.79 0.329 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.568 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 3.3 m-70 42.13 53.52 4.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.413 HG22 ' N ' ' A' ' 77' ' ' PHE . 43.2 m -124.71 147.06 48.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.557 ' CE2' ' HB2' ' A' ' 89' ' ' PHE . 3.5 p90 -132.31 153.8 50.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.572 ' HB3' ' CD2' ' A' ' 88' ' ' PHE . 32.4 pttt -121.68 142.14 50.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -122.11 103.99 9.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.091 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.46 ' HB2' ' CG2' ' A' ' 86' ' ' THR . 1.4 tm-20 -127.1 148.8 50.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 59' ' ' SER . 12.2 t-160 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.836 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.474 ' HB3' ' CE1' ' A' ' 87' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.87 0.367 . . . . 0.0 110.883 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' THR . . . . . 0.46 ' CG2' ' HB2' ' A' ' 80' ' ' GLU . 62.3 m -106.12 104.88 14.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.153 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.474 ' CE1' ' HB3' ' A' ' 85' ' ' ARG . 1.8 m-85 -95.02 163.66 13.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.949 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.572 ' CD2' ' HB3' ' A' ' 78' ' ' LYS . 82.3 m-85 -139.11 154.41 48.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.557 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 55.1 m-85 -153.06 123.88 7.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 11.4 t -103.95 138.23 40.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -108.68 132.48 53.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.104 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -62.7 -33.92 76.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 38.5 m -116.68 148.69 42.49 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.67 0.747 . . . . 0.0 110.887 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' PRO . . . . . 0.568 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 53.7 Cg_endo -69.78 -22.62 31.74 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.711 2.274 . . . . 0.0 112.312 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -73.52 -24.66 60.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -82.71 -50.11 9.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLN . . . . . 0.403 ' CD ' ' HA ' ' A' ' 75' ' ' HIS . 18.8 tt0 -41.65 -63.43 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -55.75 -50.1 71.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -48.15 -42.24 28.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' TRP . . . . . 0.471 ' O ' ' N ' ' A' ' 102' ' ' GLN . 71.6 m95 -70.07 -61.52 1.75 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 98.5 mt -37.23 -29.57 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.111 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 100' ' ' TRP . 27.8 mt-30 -91.27 -48.71 6.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.69 -61.82 2.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.083 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' MET . . . . . 0.41 ' SD ' ' CE2' ' A' ' 77' ' ' PHE . 5.3 ptm -71.49 -32.18 67.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -61.06 -51.49 58.11 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.536 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.421 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 6.0 pt-20 -55.93 -43.57 77.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.846 0.355 . . . . 0.0 110.855 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.421 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -56.55 -31.72 64.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -79.63 -39.08 32.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.083 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.899 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.5 t -141.57 144.29 34.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.862 0.363 . . . . 0.0 110.849 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.3 m -111.03 177.23 4.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.833 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.29 116.91 0.74 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.502 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.6 t -100.05 121.6 41.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.887 0.375 . . . . 0.0 110.869 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 t -131.72 157.5 43.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.812 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -42.08 -89.38 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.478 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -88.91 137.83 31.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.845 0.355 . . . . 0.0 110.928 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -93.71 146.3 31.5 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.632 0.73 . . . . 0.0 111.043 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 161.6 45.29 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.69 2.26 . . . . 0.0 112.339 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 54.6 t -72.72 142.26 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.0 m -92.9 -51.43 5.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.158 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 35' ' ' LEU . 45.7 tttp -155.0 142.32 19.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -149.15 126.85 11.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -169.18 166.29 39.58 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.52 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.528 ' CE3' ' HD3' ' A' ' 30' ' ' LYS . 98.8 m95 -74.27 124.72 26.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.818 0.342 . . . . 0.0 110.903 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.551 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 28.5 mt -136.87 143.74 43.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.505 ' CZ ' ' HB2' ' A' ' 30' ' ' LYS . 4.7 m-85 -95.25 128.35 42.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.827 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -111.52 118.73 36.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -39.42 145.22 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.8 98.24 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.1 t -49.34 -44.09 44.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.9 t -134.03 45.08 2.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -121.55 -148.83 7.95 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.468 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.401 ' O ' ' C ' ' A' ' 26' ' ' LYS . 18.8 m -109.58 74.05 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.867 0.365 . . . . 0.0 111.159 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 25' ' ' VAL . 0.7 OUTLIER 37.24 35.55 0.05 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -99.29 172.52 7.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 67.0 m95 -127.27 123.16 35.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -113.01 142.23 45.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.528 ' HD3' ' CE3' ' A' ' 16' ' ' TRP . 0.6 OUTLIER -80.03 147.62 31.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.89 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -158.83 146.05 17.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.505 ' CD1' ' HA ' ' A' ' 46' ' ' GLU . 51.4 t-105 -78.83 121.1 24.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.551 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 72.8 m-85 -114.49 138.86 50.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 98.4 t -132.2 94.96 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.096 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 13' ' ' LYS . 33.3 tp -57.97 130.51 46.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.462 ' CG1' ' HB2' ' A' ' 39' ' ' CYS . 0.9 OUTLIER -124.22 -175.07 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.132 179.866 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.432 ' N ' HG12 ' A' ' 36' ' ' VAL . 1.4 m-20 -60.47 116.49 4.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 46.1 mtt85 41.46 39.95 1.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.462 ' HB2' ' CG1' ' A' ' 36' ' ' VAL . 1.7 m -167.98 163.53 13.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.6 tp -140.43 117.41 11.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.949 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -106.39 168.33 9.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.504 ' CE1' ' HB2' ' A' ' 52' ' ' LEU . 13.0 p90 -155.62 149.75 25.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.564 ' N ' ' CD1' ' A' ' 43' ' ' TYR . 0.3 OUTLIER -132.98 166.79 21.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 -179.907 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.475 ' N ' ' CD1' ' A' ' 52' ' ' LEU . 23.4 tptt -54.48 -39.13 67.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.9 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.469 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 13.9 p-10 -148.76 -179.9 7.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.505 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 2.8 pp20? -68.09 -13.96 62.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -56.11 -26.74 51.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 59.01 44.25 16.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.845 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -64.27 -69.17 0.3 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.0 m -142.42 136.06 29.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.407 HG12 ' CE2' ' A' ' 43' ' ' TYR . 94.1 mt -62.29 121.2 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.165 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.504 ' HB2' ' CE1' ' A' ' 42' ' ' TYR . 6.1 mt -84.44 -51.11 7.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.435 ' HA3' ' CE2' ' A' ' 42' ' ' TYR . . . -147.39 155.19 26.39 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.487 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.9 t -121.25 154.9 35.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.819 0.343 . . . . 0.0 110.921 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 11.8 mt -132.6 117.66 15.42 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.589 0.709 . . . . 0.0 111.141 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 131.9 22.21 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.716 2.278 . . . . 0.0 112.358 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 61.5 mt -117.27 54.01 0.9 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 52.0 tp -109.73 115.8 30.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.0 m 60.93 25.37 15.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -80.0 164.18 23.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 58.7 ttm-85 -117.91 93.3 4.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 22.1 t -98.29 127.92 50.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -173.74 164.58 4.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.69 138.08 8.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.097 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 5.3 m -58.38 172.52 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.16 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -115.9 159.09 40.5 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.632 0.73 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -10.81 29.47 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.703 2.269 . . . . 0.0 112.336 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.5 m -98.2 3.93 48.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -99.16 14.72 28.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 47.13 43.85 14.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 33.2 mm -102.04 102.93 14.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 67.2 m -99.52 58.67 1.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 27.3 mtp85 -149.01 131.38 15.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.6 148.16 39.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.563 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 2.3 m-70 61.67 54.38 2.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.822 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.9 m -124.42 147.53 48.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.168 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.5 ' N ' ' CD1' ' A' ' 77' ' ' PHE . 1.1 p90 -137.9 159.27 42.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.513 ' HB3' ' CE1' ' A' ' 88' ' ' PHE . 30.6 pttt -125.56 146.17 49.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -132.0 110.82 11.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -136.66 151.23 49.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 13.9 t-160 -89.92 7.97 34.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 71.26 40.85 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.092 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 157.62 -47.25 0.46 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.483 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.452 HG13 ' N ' ' A' ' 85' ' ' ARG . 22.2 t -60.03 -74.92 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.843 0.354 . . . . 0.0 111.113 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.452 ' N ' HG13 ' A' ' 84' ' ' VAL . 0.3 OUTLIER -154.89 156.38 36.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.869 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 37.0 m -114.77 101.71 9.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -89.05 155.6 19.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.513 ' CE1' ' HB3' ' A' ' 78' ' ' LYS . 57.1 m-85 -137.08 140.51 42.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.911 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.456 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . 31.6 m-85 -141.21 136.15 31.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 30.4 t -117.88 117.59 29.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -85.1 132.33 34.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.101 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -60.1 -26.87 66.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.0 m -126.75 153.24 75.81 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.678 0.752 . . . . 0.0 110.837 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.563 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 53.8 Cg_endo -69.79 -38.23 8.01 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.645 2.23 . . . . 0.0 112.304 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -62.04 -26.52 68.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 97' ' ' GLN . 17.3 mt-10 -79.95 -56.8 4.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 96' ' ' GLU . 13.2 tt0 -35.43 -61.81 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -52.26 -56.77 12.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -43.01 -47.72 5.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.031 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.435 ' CD2' ' HD3' ' A' ' 13' ' ' LYS . 67.0 m95 -63.57 -61.14 2.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.942 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 75.8 mt -38.72 -35.52 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.124 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -86.33 -42.88 13.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.45 -63.76 1.19 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.092 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 13.6 ptp -72.69 -18.6 61.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -75.38 -47.53 12.49 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.471 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.535 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 5.3 pt-20 -56.81 -50.0 73.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.837 0.351 . . . . 0.0 110.86 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.535 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -54.41 -25.52 25.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -88.18 -33.66 18.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.081 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 16.4 ptt85 -83.43 155.09 23.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 61.4 t -132.81 111.9 17.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.2 163.8 26.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 92.4 p 41.83 47.2 3.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.81 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -125.39 156.74 19.32 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.523 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -179.62 3.06 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.7 2.267 . . . . 0.0 112.299 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.0 t 43.92 42.59 4.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 13.6 t -154.08 133.35 12.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.842 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.468 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.9 m -67.31 143.47 56.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.879 0.371 . . . . 0.0 110.865 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.1 m -122.68 42.09 3.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.71 177.04 20.01 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.2 p -122.23 166.97 13.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.913 0.387 . . . . 0.0 110.824 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.1 p -88.35 164.68 15.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.807 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.42 156.41 7.6 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.475 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -89.94 133.4 34.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.851 0.358 . . . . 0.0 110.886 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -125.54 158.67 63.84 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.609 0.719 . . . . 0.0 111.054 179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 162.6 41.47 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.625 2.216 . . . . 0.0 112.347 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 54.6 t -94.6 133.01 37.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.3 m -86.81 -53.3 5.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.13 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 48.2 tttp -152.6 147.72 26.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.463 ' HB3' ' CZ2' ' A' ' 32' ' ' TRP . . . -151.07 132.75 14.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.09 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.419 ' HA2' ' CZ3' ' A' ' 32' ' ' TRP . . . -172.15 172.15 44.62 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.511 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -81.37 111.08 17.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.802 0.334 . . . . 0.0 110.915 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.551 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 22.4 mt -121.37 141.62 50.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.5 ' CE2' ' HB2' ' A' ' 30' ' ' LYS . 20.1 m-85 -88.74 116.27 26.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.5 tttm -92.4 123.33 35.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -66.05 141.39 58.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.42 134.63 53.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.086 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.9 p -104.42 25.3 10.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.829 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.7 m -174.49 113.18 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.49 -162.67 15.71 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.482 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.2 p -49.5 170.78 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 0.0 111.129 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? -86.81 82.17 7.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -120.17 163.1 18.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 27.7 m95 -124.66 142.77 51.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -117.96 104.02 10.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.5 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . 31.4 tttt -62.33 124.55 21.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.464 ' CD ' ' HA ' ' A' ' 44' ' ' LYS . 5.3 mmt85 -142.28 179.15 7.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.463 ' CZ2' ' HB3' ' A' ' 14' ' ' ALA . 74.5 t-105 -99.45 113.9 26.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.551 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 32.2 m-85 -100.44 139.83 35.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 61.6 t -133.2 96.49 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 30.9 tp -59.94 115.77 3.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.449 ' CG1' ' HB2' ' A' ' 39' ' ' CYS . 1.4 p -106.43 -179.65 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -57.09 116.96 3.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.3 mtm180 42.43 37.09 0.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.449 ' HB2' ' CG1' ' A' ' 36' ' ' VAL . 1.8 m -168.53 173.59 7.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.4 tp -150.37 130.73 13.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.962 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.427 ' CE1' ' HB2' ' A' ' 54' ' ' SER . 97.8 m-85 -125.49 148.47 48.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.653 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 55.5 p90 -121.48 167.29 13.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.653 ' CD1' ' C ' ' A' ' 42' ' ' TYR . 0.2 OUTLIER -156.18 174.75 14.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.927 -179.912 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.464 ' HA ' ' CD ' ' A' ' 31' ' ' ARG . 45.5 mttt -57.63 -49.0 77.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -150.36 -175.12 4.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 47' ' ' LYS . 7.4 pt-20 -54.19 -44.49 71.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 46' ' ' GLU . 21.6 mmmt -34.62 -38.52 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 59.29 49.55 8.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -53.69 -60.51 3.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.836 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 77.6 p -148.28 149.16 31.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.6 mt -70.01 138.44 22.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.116 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.569 ' HB2' ' CE2' ' A' ' 42' ' ' TYR . 55.1 mt -106.31 -32.5 8.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.524 ' HA3' ' CE1' ' A' ' 42' ' ' TYR . . . -157.76 153.48 24.68 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.491 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.427 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 16.2 p -112.46 135.62 52.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.836 0.35 . . . . 0.0 110.83 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 57.2 mt -124.13 105.1 31.8 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.594 0.711 . . . . 0.0 111.133 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 139.53 40.35 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.704 2.269 . . . . 0.0 112.338 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 19.8 mt -127.93 45.54 2.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.3 tp -65.81 -63.9 0.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.5 t -129.7 25.92 5.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -66.53 113.9 5.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -71.94 99.55 2.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 41.1 t -94.34 127.24 46.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -170.6 156.51 5.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.139 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -42.57 142.64 0.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.099 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.5 m -59.1 176.0 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.105 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -107.37 157.0 36.71 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.587 0.708 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -8.18 22.95 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.699 2.266 . . . . 0.0 112.384 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 72.3 m -90.42 -21.93 21.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.822 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -74.98 -22.08 58.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.816 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.3 t30 56.35 47.93 18.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.859 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.418 ' O ' ' C ' ' A' ' 72' ' ' SER . 25.9 mm -78.24 88.26 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 71' ' ' ILE . 15.2 t -36.75 -62.19 0.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.798 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 37.7 mtp85 -48.6 127.13 12.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.819 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp -79.15 172.47 13.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.527 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 4.2 m-70 46.92 51.16 13.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.839 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 11.3 m -115.01 152.66 32.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.174 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.555 ' N ' ' CD1' ' A' ' 77' ' ' PHE . 0.5 OUTLIER -136.94 159.92 40.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 44.6 pttt -123.97 150.16 45.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -123.36 106.97 11.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -105.61 152.85 22.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.4 ' CG ' ' H ' ' A' ' 82' ' ' ALA . 3.3 t-160 -127.41 -174.97 3.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.4 ' H ' ' CG ' ' A' ' 81' ' ' HIS . . . -66.2 73.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 56.31 48.52 74.62 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.49 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 50.9 t -115.44 -68.81 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.833 0.349 . . . . 0.0 111.118 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -162.49 151.29 14.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.2 m -114.04 107.93 16.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.411 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 30.5 m-85 -89.95 171.52 9.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.411 ' CD1' ' O ' ' A' ' 87' ' ' TYR . 40.9 m-85 -148.06 125.89 11.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.87 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.499 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 51.2 m-85 -128.05 123.36 34.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.9 t -107.0 135.26 48.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.818 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -104.37 134.12 48.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.095 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -52.95 -44.51 67.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.3 m -112.81 159.13 35.58 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.662 0.744 . . . . 0.0 110.856 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.527 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 53.9 Cg_endo -69.79 -38.24 8.01 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.665 2.243 . . . . 0.0 112.335 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -59.33 -25.9 64.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -79.54 -55.5 4.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -40.84 -62.74 0.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.952 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -50.79 -56.11 13.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -45.56 -48.83 14.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 53.0 m95 -61.89 -57.52 11.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 85.2 mt -39.83 -37.25 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -83.27 -61.19 1.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.906 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -42.44 -63.25 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.101 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 2.9 ptp -73.65 -19.09 60.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -66.79 -52.13 35.92 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.469 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.496 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 7.7 pt-20 -55.16 -49.39 71.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.837 0.351 . . . . 0.0 110.876 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.496 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -46.37 -32.15 3.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -80.43 -35.4 35.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.091 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 71.0 mtt180 -63.71 151.09 42.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 73.6 t -141.21 118.58 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.188 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 -75.36 152.38 38.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 9.9 t -87.27 148.21 25.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.417 ' N ' ' HD2' ' A' ' 114' ' ' PRO . . . -179.92 -61.86 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.417 ' HD2' ' N ' ' A' ' 113' ' ' GLY . 54.0 Cg_endo -69.76 -23.26 31.02 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.678 2.252 . . . . 0.0 112.352 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 77.5 p -146.66 162.88 37.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 64.4 m 58.33 43.6 19.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.38 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.5 -179.992 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 m -109.79 138.31 46.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.904 0.383 . . . . 0.0 110.827 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.6 p -112.8 129.21 56.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.868 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.11 87.38 0.32 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.468 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.5 t -59.11 150.32 25.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 0.0 110.905 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.6 p -88.2 -44.35 10.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 8' ' ' ASN . . . -105.56 98.93 1.49 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.496 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 7' ' ' GLY . 71.9 m-80 -36.28 107.8 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.831 0.348 . . . . 0.0 110.886 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -102.92 148.57 35.78 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.575 0.702 . . . . 0.0 111.108 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 179.78 3.43 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.685 2.257 . . . . 0.0 112.38 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 78.7 t -104.27 124.21 58.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 44.8 m -75.06 -59.69 2.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.122 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -148.56 156.14 42.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -158.37 130.92 7.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.413 ' HA2' ' CH2' ' A' ' 32' ' ' TRP . . . -168.59 163.71 37.41 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.44 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.554 ' CE3' ' HE2' ' A' ' 30' ' ' LYS . 90.4 m95 -74.38 119.65 18.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.807 0.337 . . . . 0.0 110.9 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.5 HD11 ' CE2' ' A' ' 100' ' ' TRP . 42.9 mt -130.47 160.79 33.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -108.8 114.62 28.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.6 tttm -88.79 125.12 34.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -70.37 120.01 15.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.45 144.68 20.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.072 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 65.0 p -124.44 172.71 8.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.9 t 45.94 37.44 3.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -179.75 -161.7 27.48 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.516 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.3 p -51.44 161.52 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 0.0 111.105 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 65.7 mttt -94.04 84.52 4.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -125.97 168.27 14.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 58.6 m95 -124.75 130.23 52.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -122.36 142.88 50.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.554 ' HE2' ' CE3' ' A' ' 16' ' ' TRP . 37.8 tttt -84.57 142.72 29.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.3 tpp180 -161.07 152.05 18.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.413 ' CH2' ' HA2' ' A' ' 15' ' ' GLY . 39.4 t-105 -78.65 122.69 26.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.972 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.464 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 34.5 m-85 -114.25 141.81 47.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 84.0 t -140.0 106.43 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 34.7 tp -67.09 114.92 6.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.491 ' CG1' ' HB3' ' A' ' 39' ' ' CYS . 0.6 OUTLIER -104.84 -174.02 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.845 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.429 ' O ' ' C ' ' A' ' 38' ' ' ARG . 4.7 m-20 -53.75 118.18 3.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 37' ' ' ASP . 28.7 mtm-85 34.28 41.32 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.491 ' HB3' ' CG1' ' A' ' 36' ' ' VAL . 1.6 t -171.77 163.95 6.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 48.1 tp -134.64 139.05 45.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -128.43 152.46 48.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.889 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.56 ' CE1' ' HB2' ' A' ' 52' ' ' LEU . 46.5 p90 -129.96 144.31 51.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.513 ' N ' ' CD1' ' A' ' 43' ' ' TYR . 0.4 OUTLIER -133.3 155.18 49.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 -179.911 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.2 mttp -39.43 -48.77 2.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.405 ' HA ' ' CH2' ' A' ' 16' ' ' TRP . 17.3 p-10 -158.75 -178.92 7.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.857 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 47' ' ' LYS . 20.8 mt-10 -44.32 -45.7 8.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 46' ' ' GLU . 30.3 mtpt -35.56 -36.03 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 46' ' ' GLU . 8.8 tt0 53.8 47.88 22.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -52.66 -59.96 3.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.0 t -151.48 151.44 31.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 95.7 mt -66.9 124.46 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.086 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.56 ' HB2' ' CE1' ' A' ' 42' ' ' TYR . 76.9 mt -89.33 -35.1 16.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.556 ' HA3' ' CE2' ' A' ' 42' ' ' TYR . . . -158.2 160.09 30.58 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.472 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 5.7 p -119.3 133.88 55.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.81 0.338 . . . . 0.0 110.839 -179.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 52.3 mt -120.24 105.06 42.58 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.642 0.734 . . . . 0.0 111.114 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.598 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 53.6 Cg_endo -69.79 116.41 4.55 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.679 2.253 . . . . 0.0 112.339 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.406 ' CD1' ' HB2' ' A' ' 104' ' ' MET . 16.1 mt -106.03 40.46 1.58 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 13.4 tp -83.13 105.04 13.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 t 62.66 31.21 16.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.598 ' CE1' ' O ' ' A' ' 56' ' ' PRO . 5.4 m-85 -80.68 138.85 36.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.862 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -86.22 97.39 10.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 15.3 t -101.95 131.4 50.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.121 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -171.64 165.49 6.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.075 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.03 130.87 48.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.2 m -53.74 174.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -119.78 160.45 42.44 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.57 0.7 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -16.51 37.79 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.707 2.272 . . . . 0.0 112.334 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.6 m -92.68 11.95 24.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.849 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -104.55 -1.06 27.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.825 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 33.0 m-20 64.51 33.04 11.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 31.0 mm -101.58 83.64 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.123 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.6 t -61.9 -28.42 69.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.824 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 28.2 mtp85 -56.99 128.44 36.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.2 mtpt -80.51 166.65 20.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.514 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 2.2 m-70 43.35 51.05 6.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.857 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.485 ' CG2' ' O ' ' A' ' 89' ' ' PHE . 87.1 m -121.15 137.96 54.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.452 ' CZ ' ' HB2' ' A' ' 89' ' ' PHE . 7.3 p90 -121.74 165.62 15.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.558 ' HB3' ' CD1' ' A' ' 88' ' ' PHE . 5.1 pttm -129.35 152.73 48.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -140.26 106.62 5.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -130.11 147.96 51.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 -84.09 6.98 20.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.816 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 73.57 41.49 0.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.111 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 151.53 -53.66 0.48 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.497 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 40.2 t -52.64 -71.66 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.834 0.35 . . . . 0.0 111.131 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -160.01 146.81 16.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 47.8 m -108.94 125.29 51.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.192 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -106.78 161.11 14.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.558 ' CD1' ' HB3' ' A' ' 78' ' ' LYS . 86.3 m-85 -144.04 133.59 23.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.882 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.485 ' O ' ' CG2' ' A' ' 76' ' ' THR . 58.8 m-85 -133.37 141.08 47.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 28.1 t -118.54 123.68 45.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -92.71 144.49 25.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.113 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -70.59 -25.63 63.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.1 t -130.05 150.13 75.14 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.609 0.719 . . . . 0.0 110.909 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.514 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 54.3 Cg_endo -69.77 -10.1 27.74 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.638 2.225 . . . . 0.0 112.384 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -85.72 -25.41 26.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -83.23 -46.18 12.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -43.41 -62.72 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -53.26 -56.99 12.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -44.74 -46.96 10.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.098 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.5 ' CE2' HD11 ' A' ' 17' ' ' LEU . 61.5 m95 -62.18 -55.52 27.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 94.2 mt -45.44 -34.3 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.084 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -86.71 -39.02 16.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.17 -60.33 3.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.052 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.406 ' HB2' ' CD1' ' A' ' 57' ' ' LEU . 8.9 ptp -74.26 -28.52 61.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.891 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -59.8 -48.98 83.4 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.525 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.497 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 8.3 pt-20 -59.17 -47.84 83.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.903 0.382 . . . . 0.0 110.915 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.497 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -45.23 -32.85 2.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.063 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.464 ' HB3' ' N ' ' A' ' 60' ' ' PHE . . . -74.7 -43.35 55.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.116 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 15.7 mtp85 -57.8 157.88 6.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 13.1 p -124.89 146.83 29.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 63.4 47.02 4.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.3 m -138.74 136.26 35.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 107.72 -155.86 16.09 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.494 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -18.67 36.79 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.656 2.237 . . . . 0.0 112.377 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 19.9 m -72.61 123.18 22.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.826 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 57.9 p -88.57 8.67 27.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.843 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.459 -179.98 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.1 m -141.53 169.04 18.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.881 0.372 . . . . 0.0 110.842 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 m -160.39 159.91 31.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.32 -169.37 16.31 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.46 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.4 t -103.49 91.63 4.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.833 0.349 . . . . 0.0 110.868 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -52.01 -45.71 64.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.852 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.67 -67.04 0.23 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.48 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -137.55 147.79 45.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.86 0.362 . . . . 0.0 110.877 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -138.64 152.64 71.24 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.607 0.718 . . . . 0.0 111.096 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 164.31 34.96 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.682 2.255 . . . . 0.0 112.37 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.459 HG12 ' N ' ' A' ' 12' ' ' THR . 94.2 t -101.38 137.15 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.107 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.459 ' N ' HG12 ' A' ' 11' ' ' VAL . 7.0 m -87.5 -55.7 3.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.42 ' HE3' ' CE2' ' A' ' 100' ' ' TRP . 61.4 tttp -151.97 150.36 29.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -152.55 131.65 12.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.138 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -172.75 164.86 37.11 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.481 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.479 ' CE3' ' HE3' ' A' ' 30' ' ' LYS . 91.6 m95 -72.99 113.25 9.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.802 0.334 . . . . 0.0 110.93 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.513 HD12 ' CD2' ' A' ' 100' ' ' TRP . 28.5 mt -126.63 137.42 53.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -86.09 122.34 29.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.9 tttm -94.92 117.98 31.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.442 ' NE2' ' CD1' ' A' ' 71' ' ' ILE . 48.7 tt0 -38.57 152.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.423 ' CB ' ' O ' ' A' ' 27' ' ' GLN . . . -84.89 141.49 30.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 23' ' ' SER . 40.8 m -71.61 -177.75 1.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.83 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 22' ' ' SER . 93.1 p -37.39 100.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.878 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.5 -160.97 34.77 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.547 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.3 p -54.78 145.04 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.914 0.387 . . . . 0.0 111.135 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.0 mtpt -71.67 94.64 1.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.423 ' O ' ' CB ' ' A' ' 21' ' ' ALA . 9.1 pt20 -151.9 157.32 41.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.884 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.418 ' CZ3' ' HB2' ' A' ' 90' ' ' SER . 31.2 m95 -116.56 134.25 55.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -106.21 140.04 39.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.479 ' HE3' ' CE3' ' A' ' 16' ' ' TRP . 26.2 tttp -83.6 132.14 34.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.951 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.1 tpp85 -150.67 143.29 24.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 49.4 t-105 -69.26 122.75 19.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.465 ' CD2' ' HB2' ' A' ' 17' ' ' LEU . 26.2 m-85 -115.89 141.28 48.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.895 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 98.7 t -140.46 105.79 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.135 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.41 ' N ' ' O ' ' A' ' 13' ' ' LYS . 28.9 tp -68.3 126.11 28.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.458 ' CG1' ' HB2' ' A' ' 39' ' ' CYS . 1.4 p -121.5 -178.61 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.403 ' H ' ' CG2' ' A' ' 36' ' ' VAL . 4.3 m-20 -52.46 115.23 1.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 19.7 mtm180 39.81 38.63 0.47 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.458 ' HB2' ' CG1' ' A' ' 36' ' ' VAL . 1.8 m -165.17 173.83 10.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 29.9 tp -151.73 111.83 4.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.527 ' CE1' ' HB2' ' A' ' 54' ' ' SER . 83.4 m-85 -97.99 154.44 17.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 35.7 p90 -140.86 144.78 35.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.523 ' N ' ' CD1' ' A' ' 43' ' ' TYR . 0.6 OUTLIER -130.66 161.06 32.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.913 -179.86 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.2 ttmt -52.82 -40.85 63.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.458 ' OD2' ' CG ' ' A' ' 47' ' ' LYS . 11.7 p-10 -156.05 -177.84 6.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -52.67 -39.55 61.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.46 ' CB ' ' OE2' ' A' ' 49' ' ' GLU . 6.6 mmmm -42.98 -28.11 0.24 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 47' ' ' LYS . 14.4 pt-20 34.89 47.59 0.27 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.46 ' OE2' ' CB ' ' A' ' 47' ' ' LYS . 41.5 mp0 -55.97 -51.65 66.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 53.2 p -148.42 138.06 22.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.511 HG12 ' CE2' ' A' ' 43' ' ' TYR . 80.9 mt -65.95 128.86 29.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.125 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.6 mt -93.23 -41.51 9.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -155.21 155.46 26.26 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.44 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.527 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 11.9 t -123.34 156.4 35.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.809 0.338 . . . . 0.0 110.859 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 25.9 mt -127.74 105.14 20.89 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.662 0.744 . . . . 0.0 111.119 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 107.44 1.85 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.698 2.265 . . . . 0.0 112.349 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 94.7 mt -100.06 57.05 0.96 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.2 tp -62.65 -68.72 0.31 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 56.0 p -131.72 32.11 4.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.836 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 81' ' ' HIS . 8.5 m-85 -65.96 158.52 27.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -111.3 99.25 8.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 17.2 t -94.24 127.86 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.15 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -169.2 174.41 6.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.069 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.16 133.93 56.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 17.4 m -61.31 161.87 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -99.96 156.91 34.77 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.639 0.733 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -0.03 6.33 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.671 2.247 . . . . 0.0 112.374 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 65.3 p -120.79 30.86 6.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -112.56 0.38 15.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 41.4 t30 64.93 37.92 6.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.442 ' CD1' ' NE2' ' A' ' 20' ' ' GLN . 12.1 mm -91.77 -57.12 4.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.116 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.8 m 56.16 44.08 25.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.2 mtp85 -141.94 117.8 10.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.83 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 30.1 mttp -66.96 153.94 42.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.563 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 3.9 m-70 56.5 42.64 27.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.812 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 16.7 m -120.36 140.27 51.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.539 ' CE2' ' HB2' ' A' ' 89' ' ' PHE . 1.5 p90 -128.49 158.21 39.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.559 ' HB3' ' CD2' ' A' ' 88' ' ' PHE . 26.6 pttt -130.4 145.61 51.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -113.4 102.69 10.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -101.37 127.35 48.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.901 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 60' ' ' PHE . 50.2 t-80 -99.32 169.77 9.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.509 ' N ' ' CG ' ' A' ' 81' ' ' HIS . . . -30.77 -60.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -175.65 25.12 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.526 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.46 HG11 ' N ' ' A' ' 85' ' ' ARG . 8.7 p -93.45 -42.87 13.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.827 0.346 . . . . 0.0 111.153 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.46 ' N ' HG11 ' A' ' 84' ' ' VAL . 18.8 ttt180 -175.38 162.77 2.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 95.2 m -134.7 101.62 5.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.136 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -80.92 166.38 20.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.559 ' CD2' ' HB3' ' A' ' 78' ' ' LYS . 53.6 m-85 -138.03 151.71 48.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.539 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 33.7 m-85 -146.55 139.15 25.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.418 ' HB2' ' CZ3' ' A' ' 28' ' ' TRP . 26.8 t -122.54 118.44 28.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -90.09 140.37 29.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.102 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -64.64 -39.43 93.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.3 m -114.76 156.21 45.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.654 0.74 . . . . 0.0 110.911 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.563 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 54.2 Cg_endo -69.75 -30.39 22.39 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.733 2.289 . . . . 0.0 112.34 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -66.47 -35.97 81.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -72.85 -48.35 38.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -41.66 -65.17 0.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -53.26 -51.32 62.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -46.95 -45.73 21.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.513 ' CD2' HD12 ' A' ' 17' ' ' LEU . 57.3 m95 -67.16 -55.73 12.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 69.6 mt -41.67 -34.75 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -86.57 -51.68 6.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -48.91 -67.01 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 5.0 ptp -69.3 -25.42 64.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -62.26 -41.09 99.73 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.453 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -65.43 -41.97 92.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 110.853 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -52.85 -25.59 12.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.111 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -82.61 -24.82 33.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.052 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.2 ptt-85 -67.1 150.31 49.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.848 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 13.7 p -123.6 128.9 74.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -101.86 134.13 45.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.4 m -100.16 111.09 23.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -176.58 80.02 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.532 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 94.61 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.655 2.237 . . . . 0.0 112.348 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 4.3 m 53.79 41.82 31.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.842 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 5.4 t -89.7 83.28 6.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.478 -179.955 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -101.59 119.61 39.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.893 0.377 . . . . 0.0 110.845 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.2 m -43.0 -53.78 4.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.859 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.92 73.24 1.16 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.469 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -118.53 150.19 40.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.901 0.382 . . . . 0.0 110.869 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.0 t -91.17 143.14 26.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.3 -141.64 10.03 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.531 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -79.16 131.84 36.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.814 0.34 . . . . 0.0 110.921 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -125.84 144.19 47.67 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.603 0.716 . . . . 0.0 111.084 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 162.42 42.12 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.732 2.288 . . . . 0.0 112.335 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 96.4 t -65.95 140.94 18.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.0 m -88.55 -52.14 5.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.18 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.428 ' HD3' ' CB ' ' A' ' 103' ' ' ALA . 27.4 tttp -150.45 156.02 40.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -157.25 138.14 13.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.146 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.546 ' HA2' ' CZ3' ' A' ' 32' ' ' TRP . . . -178.69 161.29 27.67 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.518 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.475 ' CD1' ' CZ3' ' A' ' 32' ' ' TRP . 91.2 m95 -73.01 111.94 8.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.773 0.32 . . . . 0.0 110.913 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.49 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 18.7 mt -119.74 145.72 46.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.888 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -89.22 117.43 28.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -94.63 116.27 28.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.942 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -50.68 149.09 3.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.58 176.35 6.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 94.9 p -151.69 135.16 16.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.0 m 60.46 44.06 12.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -174.2 -161.99 25.12 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.542 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.4 p -57.2 156.81 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.895 0.378 . . . . 0.0 111.102 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.415 ' NZ ' ' HA ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -83.65 81.85 8.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.911 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -131.12 178.2 6.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 56.0 m95 -128.83 130.02 46.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 54.3 m-80 -109.42 112.57 24.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -55.95 130.52 44.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.463 ' NE ' ' HA ' ' A' ' 44' ' ' LYS . 2.2 tpm_? -147.94 148.22 30.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.845 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.547 ' CE2' ' OE1' ' A' ' 46' ' ' GLU . 68.8 t-105 -79.16 122.22 26.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.49 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 30.8 m-85 -113.0 140.29 47.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 53.8 t -132.82 110.52 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.156 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 47.4 tp -72.11 121.77 19.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.478 HG12 ' N ' ' A' ' 37' ' ' ASP . 1.1 p -116.6 -176.42 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.108 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.502 ' O ' ' N ' ' A' ' 39' ' ' CYS . 21.0 p-10 -50.73 117.49 2.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.435 ' C ' ' O ' ' A' ' 37' ' ' ASP . 76.1 mtt180 34.62 32.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.502 ' N ' ' O ' ' A' ' 37' ' ' ASP . 1.7 m -154.54 168.02 28.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.1 tp -144.49 123.53 12.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -110.27 169.95 8.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.538 ' CE1' ' HB2' ' A' ' 52' ' ' LEU . 20.4 p90 -151.34 142.33 23.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.974 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.504 ' CD2' ' HA ' ' A' ' 48' ' ' GLU . 0.8 OUTLIER -133.02 164.23 27.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.927 -179.902 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.463 ' HA ' ' NE ' ' A' ' 31' ' ' ARG . 34.8 mmtt -58.54 -40.84 84.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.92 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 46' ' ' GLU . 13.9 t70 -155.99 172.39 18.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.547 ' OE1' ' CE2' ' A' ' 32' ' ' TRP . 6.4 mm-40 -36.38 -41.81 0.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 46' ' ' GLU . 65.3 mttt -35.57 -46.44 0.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.504 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 5.5 pt-20 43.07 26.53 0.08 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -49.75 -62.24 1.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 60.4 p -120.44 129.37 53.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.855 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.426 HG12 ' CE2' ' A' ' 43' ' ' TYR . 68.5 mt -66.62 141.43 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.078 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.538 ' HB2' ' CE1' ' A' ' 42' ' ' TYR . 14.9 mt -99.86 -38.92 8.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.938 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -156.2 156.32 27.0 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.503 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 61.4 p -122.61 129.31 51.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.879 0.371 . . . . 0.0 110.821 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 30.8 mt -110.38 119.04 47.84 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.641 0.734 . . . . 0.0 111.137 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 136.66 33.6 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.657 2.238 . . . . 0.0 112.386 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 18.7 mt -124.86 40.44 3.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 55.8 tp -90.53 116.64 28.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.957 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 41.6 m 52.45 41.01 30.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.557 ' CE2' ' HB2' ' A' ' 81' ' ' HIS . 9.0 m-85 -89.31 158.23 17.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 27.8 ttt180 -109.89 95.22 5.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.863 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 48.2 t -97.08 128.32 48.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -173.02 155.16 2.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.102 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.431 ' N ' HD12 ' A' ' 101' ' ' ILE . . . -41.7 133.75 2.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.08 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 19.6 m -52.52 176.34 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.159 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -116.65 159.32 40.86 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.624 0.726 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -0.43 6.93 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.678 2.252 . . . . 0.0 112.326 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 39.3 m -119.6 35.68 4.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -124.18 8.73 8.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 55.51 34.54 23.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.4 mm -98.59 88.34 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.161 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.2 m -83.44 45.81 1.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.7 mtp85 -133.86 123.18 24.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.439 ' HE2' ' CE1' ' A' ' 75' ' ' HIS . 1.3 mmmm -73.09 143.56 47.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.547 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 2.3 m-70 68.64 45.47 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 17.7 m -119.51 147.0 44.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.423 ' CZ ' ' HB2' ' A' ' 89' ' ' PHE . 3.1 p90 -132.3 161.52 33.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 42.6 pttt -122.98 146.56 47.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -124.23 104.82 9.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.076 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -114.48 135.45 54.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.557 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . 7.4 t-160 -112.22 67.88 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 62.25 25.08 14.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.086 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.468 ' O ' ' C ' ' A' ' 84' ' ' VAL . . . 104.1 -32.02 8.0 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.468 ' C ' ' O ' ' A' ' 83' ' ' GLY . 69.8 t -32.26 -48.93 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.829 0.347 . . . . 0.0 111.109 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -174.31 141.19 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.6 m -114.36 104.81 12.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.1 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.452 ' HB3' ' CZ ' ' A' ' 89' ' ' PHE . 86.5 m-85 -94.02 136.4 34.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -112.86 135.15 53.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.452 ' CZ ' ' HB3' ' A' ' 87' ' ' TYR . 40.7 m-85 -139.06 123.52 18.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 48.5 t -105.2 122.22 45.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -92.82 133.3 36.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.101 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -54.13 -44.13 71.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 66.1 m -109.38 150.9 41.74 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.691 0.758 . . . . 0.0 110.814 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.547 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 54.2 Cg_endo -69.72 -25.97 28.23 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.642 2.228 . . . . 0.0 112.391 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -69.51 -31.27 69.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -76.35 -48.24 20.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -44.12 -57.7 3.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -58.16 -52.35 65.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -47.43 -49.04 26.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.418 ' CE2' HD13 ' A' ' 17' ' ' LEU . 63.1 m95 -58.79 -59.93 4.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.431 HD12 ' N ' ' A' ' 64' ' ' ALA . 96.2 mt -36.95 -35.59 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -86.83 -49.01 7.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.428 ' CB ' ' HD3' ' A' ' 13' ' ' LYS . . . -54.26 -56.5 17.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.089 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 10.0 ptp -78.56 -25.08 45.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -67.96 -42.21 85.95 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.498 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.409 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 6.2 pt-20 -59.37 -43.02 92.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.878 0.37 . . . . 0.0 110.842 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.409 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -60.36 -29.54 68.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.075 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -82.82 -38.37 23.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.075 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.97 173.34 11.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 12.1 p -129.17 132.87 66.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.115 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.39 154.28 6.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 58.5 p -72.87 174.48 7.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 74.14 173.72 29.51 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 85.23 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.627 2.218 . . . . 0.0 112.357 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.5 t -39.81 149.73 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.3 t -87.92 -50.14 6.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.829 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.511 179.977 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -93.52 92.77 7.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.876 0.37 . . . . 0.0 110.842 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.3 t -70.91 99.3 1.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.27 -164.6 21.0 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.485 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.4 m -137.09 158.0 45.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.876 0.37 . . . . 0.0 110.89 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -54.14 -43.68 70.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.04 68.66 0.1 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.458 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -66.08 -47.69 73.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.854 0.359 . . . . 0.0 110.869 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.05 154.65 89.23 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.587 0.708 . . . . 0.0 111.074 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 157.97 58.48 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.684 2.256 . . . . 0.0 112.386 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.447 HG13 ' CG1' ' A' ' 34' ' ' VAL . 76.0 t -61.22 135.29 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.6 m -82.49 -47.49 12.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.119 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.45 ' HD3' ' CD2' ' A' ' 100' ' ' TRP . 36.3 tttp -156.95 153.45 28.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -156.85 131.3 8.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -175.13 161.53 30.85 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.509 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.472 ' CD2' ' HE2' ' A' ' 30' ' ' LYS . 94.6 m95 -74.71 114.06 12.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.826 0.346 . . . . 0.0 110.913 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.421 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 22.9 mt -122.72 144.03 49.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -92.7 126.34 37.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.2 tttm -105.0 133.3 50.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -64.35 140.74 58.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.948 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.69 153.31 24.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.106 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.6 m -122.7 122.07 37.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.4 t 71.62 49.34 0.29 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -178.14 -166.33 34.36 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.494 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.8 m -49.91 163.35 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.881 0.372 . . . . 0.0 111.127 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp -86.08 59.76 5.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -105.41 174.61 5.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.931 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 43.6 m95 -128.4 133.41 48.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -115.21 130.12 56.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.472 ' HE2' ' CD2' ' A' ' 16' ' ' TRP . 43.6 tttt -71.07 139.9 50.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.7 tpp85 -156.97 143.56 18.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 75.3 t-105 -74.81 118.44 17.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.949 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.421 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 38.6 m-85 -112.71 136.79 51.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.447 ' CG1' HG13 ' A' ' 11' ' ' VAL . 89.7 t -134.96 100.49 2.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 14.6 tp -63.49 125.27 23.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.959 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.486 ' CG1' ' HB3' ' A' ' 39' ' ' CYS . 0.5 OUTLIER -114.31 -173.54 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.101 179.906 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 39' ' ' CYS . 2.2 t70 -56.9 124.45 18.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.465 ' C ' ' O ' ' A' ' 37' ' ' ASP . 18.2 mtt180 32.64 36.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.491 ' N ' ' O ' ' A' ' 37' ' ' ASP . 1.6 t -170.49 172.07 6.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.406 HD13 ' C ' ' A' ' 34' ' ' VAL . 7.3 tp -146.38 142.98 28.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -129.63 150.29 51.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.565 ' CE1' ' HB2' ' A' ' 52' ' ' LEU . 46.3 p90 -131.07 145.72 52.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.926 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.511 ' CG ' ' HA ' ' A' ' 48' ' ' GLU . 2.0 m-85 -130.2 157.91 41.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.6 tptm -50.18 -39.98 45.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -154.78 -177.09 6.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.909 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 48' ' ' GLU . 2.8 pp20? -49.13 -41.25 35.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.904 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.486 ' O ' ' C ' ' A' ' 48' ' ' GLU . 45.5 mttp -36.86 -30.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.511 ' HA ' ' CG ' ' A' ' 43' ' ' TYR . 6.6 pt-20 31.05 46.53 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -80.55 -53.88 6.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 89.3 p -117.75 131.77 56.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.46 HG12 ' CE2' ' A' ' 43' ' ' TYR . 55.1 mt -80.26 132.68 31.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.129 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.565 ' HB2' ' CE1' ' A' ' 42' ' ' TYR . 9.7 mt -92.27 -46.86 7.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.926 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.433 ' HA3' ' CE2' ' A' ' 42' ' ' TYR . . . -148.23 154.36 25.83 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.463 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 59.9 p -121.11 134.85 55.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.89 0.376 . . . . 0.0 110.847 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.402 ' HA ' ' HD2' ' A' ' 56' ' ' PRO . 22.2 mt -113.61 104.95 55.26 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.675 0.75 . . . . 0.0 111.152 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.588 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 54.3 Cg_endo -69.69 101.79 0.94 Allowed 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.705 2.27 . . . . 0.0 112.383 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.402 ' CD1' ' HB2' ' A' ' 104' ' ' MET . 60.1 mt -91.71 46.04 1.26 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.4 tp -69.07 -61.19 1.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 t -130.92 42.69 3.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.588 ' CE1' ' O ' ' A' ' 56' ' ' PRO . 5.8 m-85 -80.34 170.34 16.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 52.8 ttt180 -121.09 96.38 5.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.461 HG13 ' CG ' ' A' ' 104' ' ' MET . 40.1 t -99.96 128.96 51.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 64' ' ' ALA . . . -173.99 142.75 0.88 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 63' ' ' ALA . . . -35.31 132.05 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.09 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 22.7 m -54.02 -177.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.098 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -130.6 160.58 65.53 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.633 0.73 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -3.59 12.27 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.708 2.272 . . . . 0.0 112.32 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.9 m -100.56 -10.42 21.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.875 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -88.14 3.97 47.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.8 m-20 59.67 30.87 20.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 20.5 mm -94.78 84.76 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.156 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.4 t -80.98 43.74 0.72 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 22.6 mtp85 -127.97 113.74 16.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.831 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -62.53 152.16 35.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.501 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 2.0 m-70 57.21 45.22 20.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.841 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 30.9 m -121.46 140.17 52.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.566 ' CE2' ' HB2' ' A' ' 89' ' ' PHE . 3.1 p90 -128.55 160.89 30.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.861 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.9 pttp -119.02 146.51 44.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -134.17 103.73 5.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.083 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -125.47 150.51 47.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.468 ' CD2' ' O ' ' A' ' 81' ' ' HIS . 22.4 t-160 -96.55 16.15 19.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 56.79 47.91 17.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 156.89 -51.6 0.42 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.498 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 86.0 t -60.7 -71.8 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.85 0.357 . . . . 0.0 111.17 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -166.81 158.85 13.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.5 m -110.0 108.94 19.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -91.49 169.75 10.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -149.1 119.88 7.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.84 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.566 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 54.8 m-85 -120.97 128.52 52.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 45.5 t -106.75 138.35 43.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.816 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -109.43 135.94 49.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.121 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -59.88 -44.79 94.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.9 p -108.22 151.68 41.53 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.639 0.733 . . . . 0.0 110.86 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.501 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 54.3 Cg_endo -69.76 -21.34 33.64 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.7 2.267 . . . . 0.0 112.363 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -73.61 -35.7 65.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -71.71 -49.23 41.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -40.81 -60.92 1.05 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -57.24 -51.73 68.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -44.51 -51.42 8.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.09 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.45 ' CD2' ' HD3' ' A' ' 13' ' ' LYS . 75.1 m95 -61.84 -59.74 4.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 100' ' ' TRP . 96.9 mt -36.73 -38.29 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.13 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -85.45 -47.45 9.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.944 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.4 -60.3 3.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.102 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.461 ' CG ' HG13 ' A' ' 62' ' ' VAL . 6.7 ptm -73.64 -33.73 64.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -60.71 -53.0 48.96 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.472 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.473 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 6.0 pt-20 -48.64 -46.57 40.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.875 0.369 . . . . 0.0 110.909 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.473 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -53.21 -33.52 53.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.147 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -72.57 -37.65 68.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 31.5 mtp180 -53.44 161.6 0.95 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.445 ' O ' ' C ' ' A' ' 111' ' ' GLN . 89.2 t -129.17 131.16 68.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 110' ' ' VAL . 4.2 pm0 -34.43 138.51 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 111' ' ' GLN . 73.5 m 37.5 51.77 1.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -55.56 151.1 19.87 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 115' ' ' SER . 53.3 Cg_endo -69.77 2.83 3.19 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.693 2.262 . . . . 0.0 112.352 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 114' ' ' PRO . 9.6 m -34.56 -47.59 0.33 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.8 m -94.27 97.96 10.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.455 -179.975 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t -107.37 139.72 41.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.875 0.369 . . . . 0.0 110.861 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.9 t -85.87 93.31 8.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.884 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 45.98 -105.8 0.11 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.481 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.3 t -137.52 119.35 15.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.36 . . . . 0.0 110.842 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.6 p -119.5 162.22 19.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.17 98.39 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.442 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -101.21 140.25 35.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 110.936 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -157.77 161.37 29.12 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.56 0.695 . . . . 0.0 111.094 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 155.37 66.01 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.708 2.272 . . . . 0.0 112.334 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 82.2 t -59.65 143.4 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.4 m -89.07 -50.96 5.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.094 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -153.23 149.1 27.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -148.28 129.22 14.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.086 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.52 ' HA2' ' CZ3' ' A' ' 32' ' ' TRP . . . -170.42 162.17 35.28 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.471 ' CD1' ' CZ3' ' A' ' 32' ' ' TRP . 91.6 m95 -75.5 117.65 17.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.824 0.345 . . . . 0.0 110.975 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.549 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 16.4 mt -124.28 127.76 48.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.949 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.563 ' CE1' ' HD2' ' A' ' 30' ' ' LYS . 10.7 m-85 -73.36 118.85 16.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 48.0 tttt -93.96 107.37 19.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -39.92 153.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.39 93.01 8.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.093 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 62.4 p -46.59 -49.84 18.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 79.7 p -106.23 176.83 5.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.05 -163.93 10.23 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.469 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.4 p -56.52 152.6 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.898 0.38 . . . . 0.0 111.116 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -73.64 82.63 1.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -119.02 177.34 4.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.939 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 55.4 m95 -128.55 126.05 39.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.94 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -109.36 126.51 53.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.563 ' HD2' ' CE1' ' A' ' 18' ' ' PHE . 18.9 tttt -71.63 131.71 43.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.465 ' NE ' ' HA ' ' A' ' 44' ' ' LYS . 1.6 tpm_? -144.61 159.96 41.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.52 ' CZ3' ' HA2' ' A' ' 15' ' ' GLY . 56.4 t-105 -89.17 109.58 20.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.549 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 30.9 m-85 -103.84 128.59 51.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 67.5 t -127.56 103.28 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.155 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 15.3 tp -71.65 119.76 16.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.482 ' O ' ' C ' ' A' ' 37' ' ' ASP . 0.9 OUTLIER -86.87 -174.17 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.829 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.489 ' OD1' ' N ' ' A' ' 38' ' ' ARG . 1.8 p30 -30.68 -59.6 0.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.851 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.489 ' N ' ' OD1' ' A' ' 37' ' ' ASP . 3.1 mtt85 -131.21 -32.21 1.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 63.0 m -82.47 179.69 7.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 28.5 tp -139.85 112.26 7.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -102.05 171.33 7.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.459 ' CE2' ' HA3' ' A' ' 53' ' ' GLY . 42.5 p90 -154.71 154.04 32.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.928 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.531 ' CD2' ' HA ' ' A' ' 48' ' ' GLU . 0.9 OUTLIER -140.46 148.0 40.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.465 ' HA ' ' NE ' ' A' ' 31' ' ' ARG . 34.4 mmtt -47.3 -35.11 7.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.931 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.438 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 1.0 OUTLIER -146.4 -176.72 5.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.843 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -76.89 48.03 0.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.402 ' NZ ' ' HB2' ' A' ' 44' ' ' LYS . 8.3 pttm -100.13 -28.67 12.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.531 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 4.8 pt-20 39.72 43.06 1.08 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -102.36 -66.84 0.9 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.4 m -113.47 104.94 12.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.503 HG12 ' CE2' ' A' ' 43' ' ' TYR . 90.3 mt -59.94 134.83 25.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.129 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.448 ' CD1' ' HG2' ' A' ' 44' ' ' LYS . 8.0 mt -94.04 -41.96 9.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.459 ' HA3' ' CE2' ' A' ' 42' ' ' TYR . . . -150.06 144.0 11.41 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.505 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.9 t -110.12 145.79 36.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.873 0.368 . . . . 0.0 110.871 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.409 ' HA ' ' HD2' ' A' ' 56' ' ' PRO . 45.9 mt -126.4 105.08 24.54 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.616 0.722 . . . . 0.0 111.11 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 55' ' ' ILE . 54.0 Cg_endo -69.81 133.32 25.19 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.706 2.27 . . . . 0.0 112.357 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 81.6 mt -128.93 55.17 1.74 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.8 tp -76.89 -63.22 1.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.973 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.7 m -128.22 40.44 3.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.839 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -78.33 -179.82 6.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -129.97 92.31 3.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 8.2 t -98.84 131.08 46.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -174.14 157.34 2.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.119 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -42.74 137.02 2.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.122 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 23.8 m -64.66 -179.05 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.127 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.424 ' CD ' ' HD2' ' A' ' 67' ' ' PRO . 2.5 mm100 -131.01 161.85 59.15 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.575 0.702 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.424 ' HD2' ' CD ' ' A' ' 66' ' ' GLN . 53.8 Cg_endo -69.75 -9.07 25.21 Favored 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.672 2.248 . . . . 0.0 112.357 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.0 m -88.68 -14.25 37.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -88.98 -0.11 57.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.8 m120 63.68 36.05 11.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 25.0 mm -92.86 88.77 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.141 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 60.5 m -83.6 42.23 0.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 28.8 mtp180 -134.47 120.54 19.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.2 mmtm -70.6 149.04 47.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.486 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 2.5 m-70 65.21 41.86 4.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 10.3 m -120.63 136.47 54.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.468 ' CE2' ' HB2' ' A' ' 89' ' ' PHE . 6.8 p90 -124.16 162.97 22.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.514 ' HB3' ' CE1' ' A' ' 88' ' ' PHE . 32.7 pttt -129.95 144.44 51.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -125.59 118.41 25.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -133.17 150.24 52.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.423 ' HB3' ' CG2' ' A' ' 84' ' ' VAL . 3.8 t-160 -103.8 18.33 22.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 74.7 44.99 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 84' ' ' VAL . . . 133.41 -57.07 0.71 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.511 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.448 ' C ' ' O ' ' A' ' 83' ' ' GLY . 67.7 t -34.02 -67.26 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.908 0.385 . . . . 0.0 111.189 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -167.95 152.06 6.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 2.2 m -115.83 100.19 7.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -86.94 158.87 19.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.514 ' CE1' ' HB3' ' A' ' 78' ' ' LYS . 63.2 m-85 -140.86 130.03 23.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.865 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.468 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 42.0 m-85 -134.14 137.31 44.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 31.0 t -114.44 129.92 56.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -96.47 138.66 33.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.1 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -58.49 -43.84 89.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.8 m -115.6 160.13 35.93 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.669 0.747 . . . . 0.0 110.866 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.486 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 53.9 Cg_endo -69.82 -35.82 11.76 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.652 2.235 . . . . 0.0 112.346 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -59.61 -39.59 84.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -67.22 -49.82 63.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -42.01 -62.45 0.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -56.54 -50.01 73.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -48.3 -46.32 36.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.469 ' O ' ' N ' ' A' ' 102' ' ' GLN . 65.1 m95 -65.22 -62.92 1.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.936 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.438 ' C ' ' O ' ' A' ' 100' ' ' TRP . 86.4 mt -34.66 -34.06 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.105 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 100' ' ' TRP . 24.9 mt-30 -88.51 -54.06 4.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.916 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.57 -51.76 45.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 7.8 ptm -81.14 -38.49 27.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -55.02 -48.54 66.91 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.488 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.402 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 5.5 pt-20 -53.28 -42.92 67.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.891 0.377 . . . . 0.0 110.898 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.402 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -57.58 -27.61 62.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.092 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -86.13 -33.56 20.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.126 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -85.53 154.73 21.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.408 HG11 ' N ' ' A' ' 111' ' ' GLN . 91.1 t -142.04 147.53 21.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.408 ' N ' HG11 ' A' ' 110' ' ' VAL . 38.5 tt0 -98.29 110.74 23.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.938 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 91.8 p -100.34 37.43 1.68 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -97.07 -156.88 30.78 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.49 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 114.66 3.77 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.762 2.308 . . . . 0.0 112.333 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 t -90.75 125.81 35.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 72.7 m -83.59 -54.02 5.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.854 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.497 179.989 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.6 t -88.44 103.98 16.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 0.0 110.847 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -56.55 162.23 2.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.26 144.64 0.34 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.491 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.4 p 42.42 42.26 2.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.881 0.372 . . . . 0.0 110.87 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 t -99.79 99.91 10.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.71 -177.62 49.32 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.48 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 61.9 t-20 50.66 40.31 23.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.822 0.344 . . . . 0.0 110.877 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -40.1 159.62 0.13 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.562 0.696 . . . . 0.0 111.094 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 179.87 3.39 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.649 2.233 . . . . 0.0 112.365 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 95.7 t -110.29 135.13 50.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.139 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.3 m -90.22 -43.24 10.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 35.0 tttp -156.59 149.31 23.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -157.33 134.26 10.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.065 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.402 ' HA2' ' CZ3' ' A' ' 32' ' ' TRP . . . -174.28 162.75 33.24 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.558 ' CE3' ' HE2' ' A' ' 30' ' ' LYS . 92.4 m95 -73.93 107.84 6.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.782 0.325 . . . . 0.0 110.873 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.0 mt -120.18 129.7 54.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -78.62 116.48 19.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.88 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.1 tttt -88.2 139.94 29.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -81.95 127.02 32.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.48 105.28 4.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.098 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.1 t -65.62 -42.51 91.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.8 t -81.2 167.45 19.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 46.55 -163.81 0.14 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.501 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.1 m -45.55 160.21 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.876 0.369 . . . . 0.0 111.149 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.5 mptt -90.76 87.63 6.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -128.4 177.76 6.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 45.5 m95 -119.51 154.11 34.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -140.56 133.26 28.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.558 ' HE2' ' CE3' ' A' ' 16' ' ' TRP . 21.5 tttm -70.01 127.62 33.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -147.72 142.8 27.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.402 ' CZ3' ' HA2' ' A' ' 15' ' ' GLY . 48.4 t-105 -76.48 121.68 23.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -113.97 139.32 49.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 48.6 t -134.3 106.1 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 25.2 tp -65.78 126.17 27.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.406 ' CG2' ' H ' ' A' ' 37' ' ' ASP . 2.3 p -120.91 179.25 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.406 ' H ' ' CG2' ' A' ' 36' ' ' VAL . 2.3 m-20 -51.59 114.83 1.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 57.3 mtt180 39.4 39.24 0.45 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.5 m -166.55 173.57 9.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.4 tp -151.53 124.7 8.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.554 ' CE1' ' HB2' ' A' ' 54' ' ' SER . 85.2 m-85 -110.79 153.04 25.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.599 ' CD2' ' O ' ' A' ' 53' ' ' GLY . 20.8 p90 -136.66 137.91 40.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.943 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.561 ' CE2' HG12 ' A' ' 51' ' ' ILE . 2.7 m-85 -121.07 159.51 25.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -47.52 -48.04 27.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.861 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -147.39 177.64 9.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -50.74 -41.85 56.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.862 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.8 mtpp -42.61 -32.18 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.547 ' HG2' ' CD1' ' A' ' 43' ' ' TYR . 41.4 mt-10 58.46 43.54 19.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -48.97 -60.62 2.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 t -149.73 147.11 27.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.846 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.561 HG12 ' CE2' ' A' ' 43' ' ' TYR . 69.4 mt -72.35 128.64 35.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.108 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.482 ' HB2' ' CE1' ' A' ' 42' ' ' TYR . 25.8 mt -94.32 -48.08 6.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.599 ' O ' ' CD2' ' A' ' 42' ' ' TYR . . . -152.58 143.26 10.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.485 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.554 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 31.3 t -110.66 149.56 30.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.899 0.38 . . . . 0.0 110.808 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.558 HG12 ' CE2' ' A' ' 87' ' ' TYR . 23.1 mt -120.71 108.16 37.51 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.647 0.736 . . . . 0.0 111.112 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.505 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 54.0 Cg_endo -69.76 99.92 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.666 2.244 . . . . 0.0 112.369 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 38.1 mt -82.53 51.28 1.82 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.3 tp -103.81 114.27 28.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 m 61.61 39.43 14.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.505 ' CE1' ' O ' ' A' ' 56' ' ' PRO . 7.6 m-85 -99.33 155.8 17.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 47.3 ttt85 -107.84 97.73 7.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 44.4 t -96.94 133.51 38.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.082 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -175.09 165.29 3.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.112 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -56.3 142.63 37.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.093 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 30.7 m -70.16 -174.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -133.59 161.45 63.68 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.586 0.707 . . . . 0.0 110.926 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 3.03 3.01 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.701 2.267 . . . . 0.0 112.359 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.9 m -104.88 -15.96 15.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 70' ' ' ASN . 7.0 m-20 -84.43 29.01 0.61 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.855 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 69' ' ' ASP . 5.8 t-20 36.9 34.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.538 HD12 ' CD1' ' A' ' 88' ' ' PHE . 40.5 mm -81.88 -57.07 5.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.168 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.0 m 50.31 47.98 22.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 24.0 mtp180 -146.53 124.79 12.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.9 mmtm -69.25 158.93 34.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.558 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 1.4 m-70 51.41 47.04 25.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.915 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 23.6 m -124.91 139.85 53.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.54 ' CZ ' ' HB2' ' A' ' 89' ' ' PHE . 23.7 p90 -133.99 152.29 51.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 47.0 pttt -110.52 150.95 28.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -134.06 103.89 5.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.124 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -139.64 129.33 24.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.47 ' CD2' ' C ' ' A' ' 81' ' ' HIS . 1.1 t-160 -66.0 -74.98 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.463 ' N ' ' CG ' ' A' ' 81' ' ' HIS . . . -134.94 -59.46 0.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -156.26 25.34 0.54 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.504 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 45.3 t -86.19 -68.98 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.8 0.333 . . . . 0.0 111.148 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.0 ttp180 -156.92 146.07 20.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 24.3 m -108.93 102.8 11.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.558 ' CE2' HG12 ' A' ' 55' ' ' ILE . 37.9 m-85 -83.62 118.91 24.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.538 ' CD1' HD12 ' A' ' 71' ' ' ILE . 97.5 m-85 -102.88 141.9 34.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.54 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . 36.5 m-85 -140.19 125.47 18.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.9 t -106.82 112.92 26.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -83.39 133.38 34.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.107 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -49.09 -45.76 43.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.8 m -114.61 160.64 32.43 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.677 0.751 . . . . 0.0 110.849 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.558 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 53.5 Cg_endo -69.81 -29.77 23.09 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.681 2.254 . . . . 0.0 112.391 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -62.61 -39.36 93.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -68.61 -47.41 66.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.412 ' CD ' ' HA ' ' A' ' 75' ' ' HIS . 12.4 tt0 -45.22 -64.23 0.76 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -53.51 -48.9 68.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -49.69 -49.32 48.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.092 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 67.6 m95 -61.71 -58.34 8.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 81.4 mt -37.19 -37.31 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -87.15 -58.6 2.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -39.39 -67.3 0.23 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 11.6 ptp -72.5 -29.72 63.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -54.84 -53.02 42.24 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.533 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.403 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 4.7 pt-20 -55.64 -42.46 75.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.851 0.358 . . . . 0.0 110.89 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.403 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -64.37 -24.18 67.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.096 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -83.55 -42.01 17.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.086 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 8.7 ptt180 -53.84 155.21 3.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.839 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.411 HG23 ' N ' ' A' ' 111' ' ' GLN . 13.3 p -137.79 146.98 26.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.411 ' N ' HG23 ' A' ' 110' ' ' VAL . 85.9 mt-30 -86.81 81.97 7.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.7 t -110.27 -58.62 2.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 156.89 -146.56 13.98 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.464 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 123.34 10.01 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.677 2.252 . . . . 0.0 112.346 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.5 m -90.21 140.19 29.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.858 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 69.1 m 60.99 42.25 12.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.881 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.453 -179.944 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 t -132.45 166.83 21.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.831 0.348 . . . . 0.0 110.904 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.1 t -96.2 113.99 25.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.839 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.7 87.49 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.523 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m -62.6 84.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 0.0 110.866 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.6 p -112.07 135.97 52.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.827 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.18 -125.2 6.76 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.509 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -154.19 116.64 4.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.835 0.35 . . . . 0.0 110.852 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -78.54 158.65 75.87 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.63 0.728 . . . . 0.0 111.066 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 153.45 68.84 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.677 2.251 . . . . 0.0 112.331 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.443 HG22 ' N ' ' A' ' 12' ' ' THR . 11.8 p -82.54 141.18 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.443 ' N ' HG22 ' A' ' 11' ' ' VAL . 23.5 m -89.92 -52.96 4.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.7 tttp -150.57 153.44 35.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.935 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -157.29 137.31 12.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.087 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 179.83 169.32 39.92 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.45 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.511 ' CE3' ' HE2' ' A' ' 30' ' ' LYS . 98.4 m95 -77.77 123.4 26.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.804 0.335 . . . . 0.0 110.939 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.511 HD12 ' CE2' ' A' ' 100' ' ' TRP . 19.6 mt -133.75 131.4 39.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.926 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -79.74 115.54 19.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.6 tttm -91.29 126.28 36.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.417 ' OE1' ' CZ2' ' A' ' 28' ' ' TRP . 18.1 tt0 -63.67 134.66 55.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.31 91.61 6.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.5 m -82.1 -42.16 19.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.1 p -69.07 -54.81 13.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.9 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.33 -161.71 22.32 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.505 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.4 p -57.6 165.08 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 0.0 111.154 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -72.09 82.83 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -147.37 177.71 9.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.417 ' CZ2' ' OE1' ' A' ' 20' ' ' GLN . 21.6 m95 -125.69 136.8 53.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -121.99 155.44 35.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.511 ' HE2' ' CE3' ' A' ' 16' ' ' TRP . 73.2 tttt -94.29 142.0 27.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -156.28 153.87 29.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.834 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 75.4 t-105 -85.62 114.2 22.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -106.61 139.82 40.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.406 ' CG1' HG23 ' A' ' 11' ' ' VAL . 71.7 t -134.99 103.73 4.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.111 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 27.2 tp -61.76 128.27 35.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.477 ' CG1' ' HB2' ' A' ' 39' ' ' CYS . 0.8 OUTLIER -123.11 178.74 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.162 179.848 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' A' ' 39' ' ' CYS . 6.6 p-10 -45.1 115.9 1.0 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.849 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 37' ' ' ASP . 50.0 mtt180 34.27 32.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.506 ' N ' ' O ' ' A' ' 37' ' ' ASP . 1.7 m -154.58 176.67 12.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 28.9 tp -151.87 127.5 10.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -115.02 160.44 19.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.554 ' CE2' ' HB2' ' A' ' 52' ' ' LEU . 48.6 p90 -141.26 141.21 34.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.94 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.485 ' CD2' ' HG3' ' A' ' 48' ' ' GLU . 1.4 m-85 -131.05 161.34 32.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.865 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.3 mmtp -48.46 -47.06 38.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.92 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -148.01 -178.86 6.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 47' ' ' LYS . 3.1 pp20? -53.87 -43.57 69.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 46' ' ' GLU . 5.6 mmmm -36.26 -43.42 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.485 ' HG3' ' CD2' ' A' ' 43' ' ' TYR . 24.5 tt0 70.7 45.0 0.6 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -47.68 -61.31 2.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 58.0 p -150.44 159.47 44.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 72.9 mt -81.31 129.77 36.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.102 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.554 ' HB2' ' CE2' ' A' ' 42' ' ' TYR . 6.7 mt -94.4 -47.17 6.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.956 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.411 ' CA ' ' CE1' ' A' ' 42' ' ' TYR . . . -150.46 151.49 23.52 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.481 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 24.6 p -114.24 135.18 54.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.833 0.349 . . . . 0.0 110.878 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 28.9 mt -115.67 104.99 52.44 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.628 0.728 . . . . 0.0 111.121 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 105.28 1.46 Allowed 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.64 2.227 . . . . 0.0 112.338 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 24.3 mt -86.68 44.54 1.17 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.3 tp -93.22 105.32 17.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.1 t 69.3 38.81 1.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.565 ' CD1' ' HB2' ' A' ' 81' ' ' HIS . 8.6 m-85 -101.87 124.84 48.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -78.42 102.12 7.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 46.3 t -96.22 128.22 47.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.058 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -174.89 151.5 1.39 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.063 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.84 143.44 1.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.087 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.5 m -50.39 -178.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.166 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -115.48 157.69 43.48 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.567 0.699 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -11.74 31.45 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.692 2.261 . . . . 0.0 112.322 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.8 m -83.6 -33.3 25.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.03 -38.45 88.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 25.7 t30 65.5 43.96 3.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 19.6 mm -60.55 131.83 25.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.119 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.428 ' O ' ' CG ' ' A' ' 73' ' ' ARG . 8.4 t -80.49 44.66 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.428 ' CG ' ' O ' ' A' ' 72' ' ' SER . 27.1 mtp85 -161.31 134.23 6.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -81.77 177.09 9.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.51 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 3.5 m-70 38.37 42.69 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.824 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.431 HG23 ' N ' ' A' ' 77' ' ' PHE . 24.9 m -106.13 150.05 26.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.55 ' CZ ' ' HB2' ' A' ' 89' ' ' PHE . 21.8 p90 -139.82 152.49 46.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 46.7 pttt -117.96 151.32 37.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.854 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -125.59 103.02 7.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.059 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -120.0 130.15 54.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.565 ' HB2' ' CD1' ' A' ' 60' ' ' PHE . 1.2 t-160 -91.56 -75.05 0.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.452 ' N ' ' CG ' ' A' ' 81' ' ' HIS . . . -168.95 109.24 0.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 36.71 52.19 1.45 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.513 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.4 ' CG1' ' H ' ' A' ' 85' ' ' ARG . 2.5 p -132.78 -57.05 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.826 0.346 . . . . 0.0 111.127 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.4 ' H ' ' CG1' ' A' ' 84' ' ' VAL . 19.2 ttm180 -173.8 166.86 4.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.5 m -140.1 106.31 5.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.101 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -81.78 166.57 19.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -144.96 118.85 9.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.55 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . 34.1 m-85 -124.51 132.74 53.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 31.9 t -113.75 115.55 27.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -85.74 130.8 34.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.068 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -50.07 -44.51 51.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.1 m -112.9 153.41 45.2 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.668 0.747 . . . . 0.0 110.845 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.51 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 53.8 Cg_endo -69.75 -19.76 35.76 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.698 2.265 . . . . 0.0 112.316 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -73.0 -36.58 67.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -72.56 -45.07 61.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -44.6 -56.37 4.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.936 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -60.82 -50.23 74.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -48.97 -47.23 44.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.102 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.511 ' CE2' HD12 ' A' ' 17' ' ' LEU . 57.6 m95 -64.03 -58.01 7.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 74.9 mt -38.74 -39.24 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.164 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -83.83 -55.29 4.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -43.39 -62.9 0.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 7.1 ptp -75.62 -27.33 58.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -58.45 -51.85 56.29 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.506 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -55.86 -41.81 74.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.359 . . . . 0.0 110.863 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -60.56 -29.85 69.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.082 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -87.95 -36.37 17.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -71.41 159.23 34.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.428 HG13 ' N ' ' A' ' 111' ' ' GLN . 62.7 t -130.99 141.03 47.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.428 ' N ' HG13 ' A' ' 110' ' ' VAL . 50.8 mt-30 -94.63 132.56 39.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 111' ' ' GLN . 54.3 p -36.8 137.65 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -141.58 113.68 0.85 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 0.83 5.08 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.719 2.279 . . . . 0.0 112.352 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 70.2 m -56.95 132.92 54.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.3 t -165.73 142.79 5.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.526 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.1 p -44.95 119.98 2.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.883 0.373 . . . . 0.0 110.813 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.8 m -132.27 157.78 43.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.831 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.6 -132.78 0.76 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.524 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m 44.81 42.24 5.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.93 0.395 . . . . 0.0 110.871 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.3 p -133.52 137.3 45.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.844 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.25 -176.12 2.11 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.485 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 -76.38 129.4 36.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.827 0.346 . . . . 0.0 110.909 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.81 148.37 35.2 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.579 0.704 . . . . 0.0 111.12 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 166.44 27.58 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.743 2.295 . . . . 0.0 112.333 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.7 p -82.4 147.53 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.068 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.9 m -92.0 -50.6 5.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.198 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.6 tttp -154.18 152.07 29.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.936 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -159.75 134.81 8.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -176.16 164.93 35.13 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.413 ' CH2' ' HA ' ' A' ' 45' ' ' ASP . 92.4 m95 -74.37 110.87 9.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.824 0.345 . . . . 0.0 110.952 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.441 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 12.6 mt -119.86 140.14 51.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.507 ' CZ ' ' HD2' ' A' ' 30' ' ' LYS . 11.6 m-85 -86.47 118.93 26.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.9 tttt -95.45 124.06 39.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.911 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.443 ' NE2' ' CZ2' ' A' ' 28' ' ' TRP . 3.6 tp-100 -61.0 150.94 31.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.15 98.64 11.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.9 t -60.52 -46.95 88.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.861 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.1 t -107.1 127.93 53.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.52 -165.97 13.64 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.6 p -53.66 163.68 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 0.0 111.149 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 66.4 mttt -87.44 85.09 7.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.2 pt20 -137.15 174.06 11.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.519 ' CG ' ' HD2' ' A' ' 73' ' ' ARG . 40.2 m95 -122.34 130.43 53.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -107.48 122.12 45.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.507 ' HD2' ' CZ ' ' A' ' 18' ' ' PHE . 48.3 tttt -68.42 125.77 27.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.472 ' NE ' ' HA ' ' A' ' 44' ' ' LYS . 1.4 tpm_? -143.71 154.17 43.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 75.9 t-105 -83.3 117.15 22.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.441 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 37.9 m-85 -108.05 140.89 40.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.862 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 99.6 t -138.37 106.07 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.162 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.432 ' CD2' ' HB1' ' A' ' 103' ' ' ALA . 18.4 tp -68.21 123.57 21.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.474 ' CG1' ' HB2' ' A' ' 39' ' ' CYS . 1.1 p -117.18 -177.44 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.153 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.473 ' O ' ' N ' ' A' ' 39' ' ' CYS . 5.9 p-10 -48.16 114.88 1.02 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 37' ' ' ASP . 37.4 mtt180 36.2 31.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.474 ' HB2' ' CG1' ' A' ' 36' ' ' VAL . 1.7 m -153.57 175.62 13.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 32.5 tp -150.58 125.41 9.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.959 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -113.85 155.11 26.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.558 ' CE1' ' HB2' ' A' ' 52' ' ' LEU . 39.2 p90 -139.35 142.87 37.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.528 ' CD1' ' HG2' ' A' ' 48' ' ' GLU . 2.1 m-85 -130.93 153.8 48.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.472 ' HA ' ' NE ' ' A' ' 31' ' ' ARG . 25.1 mttm -42.47 -43.08 3.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.929 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.413 ' HA ' ' CH2' ' A' ' 16' ' ' TRP . 1.7 m-20 -151.71 -179.31 7.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.0 -17.83 19.98 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -58.96 -35.98 74.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.528 ' HG2' ' CD1' ' A' ' 43' ' ' TYR . 16.7 mt-10 55.73 42.69 28.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -54.89 -51.39 66.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 51.4 m -153.59 139.02 17.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 48.9 mt -65.54 132.17 31.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.11 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.558 ' HB2' ' CE1' ' A' ' 42' ' ' TYR . 91.9 mt -96.07 -43.85 7.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.936 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.444 ' HA3' ' CE2' ' A' ' 42' ' ' TYR . . . -150.81 150.51 22.51 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 53.0 p -119.17 126.79 52.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.842 0.353 . . . . 0.0 110.832 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 21.6 mt -104.71 104.93 48.48 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.605 0.717 . . . . 0.0 111.166 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.84 100.87 0.86 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.68 2.253 . . . . 0.0 112.301 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 38.5 mt -93.6 42.76 1.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.1 tp -59.19 -64.05 1.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 52.4 m -130.89 39.57 3.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.401 ' O ' ' CB ' ' A' ' 108' ' ' ALA . 5.6 m-85 -78.82 161.87 26.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 78.2 ttt-85 -115.08 93.99 4.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 6.5 t -95.53 129.39 45.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 64' ' ' ALA . . . -172.26 152.03 2.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.076 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 63' ' ' ALA . . . -35.59 150.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.075 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.454 ' CG1' HD11 ' A' ' 71' ' ' ILE . 3.9 m -62.96 171.32 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -99.47 155.18 36.8 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.599 0.714 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -2.59 10.45 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.645 2.23 . . . . 0.0 112.324 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 89.7 p -111.49 17.26 20.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -94.27 -43.36 8.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 74.15 52.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.555 HD13 ' CE1' ' A' ' 88' ' ' PHE . 74.5 mt -97.01 105.23 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.9 m -44.57 -39.84 5.25 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.519 ' HD2' ' CG ' ' A' ' 28' ' ' TRP . 38.1 mtp85 -68.74 137.83 54.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.818 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 75' ' ' HIS . 22.5 mtpp -90.83 -177.15 4.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.468 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 3.4 m-70 34.91 43.47 0.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.869 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.408 HG21 ' N ' ' A' ' 77' ' ' PHE . 89.3 m -106.93 142.33 36.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.124 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.566 ' CE2' ' HB2' ' A' ' 89' ' ' PHE . 3.3 p90 -125.82 158.64 34.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.7 pttt -115.01 150.12 36.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -129.92 107.64 9.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.081 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -141.33 124.19 16.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.432 ' CD2' ' C ' ' A' ' 81' ' ' HIS . 2.8 t-160 -75.29 -75.25 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.843 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -175.25 110.63 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 53.37 38.94 58.36 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.49 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 41.6 t -125.02 -71.55 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 111.14 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 43.8 ttt180 -167.45 155.48 9.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 17.6 m -122.44 107.73 12.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.119 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -86.36 156.6 20.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.555 ' CE1' HD13 ' A' ' 71' ' ' ILE . 46.2 m-85 -130.96 119.76 22.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.566 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 56.1 m-85 -122.27 129.07 51.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 11.5 t -110.68 133.28 53.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.804 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -105.71 133.94 49.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -56.43 -39.92 73.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 72.3 m -117.74 151.95 49.23 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.668 0.746 . . . . 0.0 110.885 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.468 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 53.1 Cg_endo -69.84 -16.18 37.1 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.642 2.228 . . . . 0.0 112.365 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -78.63 -30.81 46.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -77.99 -40.23 39.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.876 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -48.68 -55.03 12.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -61.63 -55.43 30.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -43.12 -46.83 5.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.099 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.439 ' O ' ' C ' ' A' ' 101' ' ' ILE . 55.0 m95 -66.19 -65.34 0.69 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.439 ' C ' ' O ' ' A' ' 100' ' ' TRP . 81.8 mt -35.02 -39.06 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.1 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -79.41 -48.37 14.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.432 ' HB1' ' CD2' ' A' ' 35' ' ' LEU . . . -58.0 -55.7 31.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 4.7 ptm -74.3 -42.94 58.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -54.32 -53.36 38.43 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.472 ' HA ' ' NE ' ' A' ' 109' ' ' ARG . 4.0 pt-20 -53.44 -43.19 67.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.884 0.373 . . . . 0.0 110.906 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.418 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -52.12 -26.72 11.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.401 ' CB ' ' O ' ' A' ' 60' ' ' PHE . . . -76.92 -41.35 43.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.137 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.472 ' NE ' ' HA ' ' A' ' 106' ' ' GLU . 0.6 OUTLIER -49.3 158.04 0.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 97.5 t -128.03 107.81 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 63.12 44.31 5.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 63.6 p -82.27 -47.29 12.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -128.22 125.04 4.95 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 130.76 19.99 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.689 2.26 . . . . 0.0 112.321 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 4.9 t -71.17 -54.6 10.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.816 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 86.4 p -150.51 123.71 8.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.48 179.988 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 m -103.01 114.21 28.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.878 0.37 . . . . 0.0 110.825 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 t -90.68 138.54 31.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.4 151.04 29.22 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.474 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.4 p -121.04 175.87 5.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.913 0.387 . . . . 0.0 110.856 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.6 m -125.35 169.77 12.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.867 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 8' ' ' ASN . . . 89.91 79.8 1.34 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.473 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 7' ' ' GLY . 1.3 p30 -35.2 142.98 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.793 0.33 . . . . 0.0 110.929 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -116.62 164.81 16.98 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.613 0.721 . . . . 0.0 111.073 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 167.58 24.08 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.671 2.247 . . . . 0.0 112.324 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 91.0 t -92.37 133.91 32.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.2 m -85.09 -55.11 4.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -149.65 143.69 25.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -143.05 127.67 18.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -168.03 159.84 33.2 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.521 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.501 ' CE3' ' HE2' ' A' ' 30' ' ' LYS . 83.3 m95 -75.01 119.39 19.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.803 0.335 . . . . 0.0 110.895 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.517 HD12 ' CE2' ' A' ' 100' ' ' TRP . 29.4 mt -129.85 141.5 50.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -86.5 122.59 30.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.6 tttm -99.57 127.2 45.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -72.65 140.8 48.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.68 96.68 10.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 80.5 p -54.9 -26.4 35.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.3 t -122.72 136.49 54.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 120.68 -121.46 4.86 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.4 m -103.57 14.53 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.884 0.373 . . . . 0.0 111.087 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 55.99 36.95 28.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.8 pt20 -98.04 -179.64 4.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 36.6 m95 -112.76 144.84 41.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -131.93 108.14 9.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.501 ' HE2' ' CE3' ' A' ' 16' ' ' TRP . 81.8 tttt -46.12 136.66 6.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.7 tpp180 -155.17 148.74 25.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.43 ' CZ3' ' CD1' ' A' ' 16' ' ' TRP . 67.4 t-105 -80.92 121.82 26.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 45.5 m-85 -114.22 136.36 53.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.876 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 94.5 t -133.95 97.91 2.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.166 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 24.9 tp -58.35 132.26 53.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.455 HG13 ' CE2' ' A' ' 41' ' ' PHE . 1.2 p -123.85 -176.68 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.403 ' H ' ' CG2' ' A' ' 36' ' ' VAL . 2.6 m-20 -55.57 114.83 2.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.4 mtm180 40.26 38.27 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.432 ' HB2' ' CG1' ' A' ' 36' ' ' VAL . 2.0 m -166.13 175.58 8.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.8 tp -150.71 127.47 10.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.942 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.569 ' CE1' ' HB2' ' A' ' 54' ' ' SER . 84.3 m-85 -118.09 154.55 31.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.531 ' CE1' ' O ' ' A' ' 53' ' ' GLY . 47.6 p90 -137.59 151.22 48.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.945 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.467 ' N ' ' CD1' ' A' ' 43' ' ' TYR . 2.0 m-85 -129.95 158.62 39.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.6 tttm -47.4 -48.05 26.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 46' ' ' GLU . 5.8 t70 -151.52 166.93 29.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.493 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 32.1 tt0 -44.32 -33.73 1.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -37.93 -35.46 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.911 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.426 ' OE2' ' CE1' ' A' ' 43' ' ' TYR . 18.0 mm-40 62.12 45.9 6.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.863 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -67.32 -57.15 7.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 67.6 m -155.71 151.1 26.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 85.0 mt -76.07 128.02 37.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.165 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.5 mp -88.21 -35.05 17.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.531 ' O ' ' CE1' ' A' ' 42' ' ' TYR . . . -167.92 153.08 22.04 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.569 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 12.0 p -112.3 149.99 31.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.927 0.394 . . . . 0.0 110.815 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 66.3 mt -121.82 117.37 29.88 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.637 0.732 . . . . 0.0 111.103 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 125.52 12.23 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.683 2.255 . . . . 0.0 112.357 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 58' ' ' LEU . 23.3 mt -120.99 22.78 10.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 57' ' ' LEU . 1.7 tp -34.73 -69.28 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 68.0 m -129.06 7.4 5.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.573 ' CZ ' ' HB2' ' A' ' 81' ' ' HIS . 8.0 m-85 -40.68 141.94 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -98.36 101.31 12.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 32.5 t -96.38 129.07 46.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -171.0 161.24 6.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.39 138.46 7.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 7.5 m -52.53 179.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.133 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -110.39 160.23 29.22 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.562 0.696 . . . . 0.0 110.917 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -16.37 37.54 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.71 2.273 . . . . 0.0 112.333 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.9 m -80.7 -19.82 44.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.831 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -80.9 -24.59 38.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.826 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 13.6 m120 44.07 45.89 6.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 10.9 mm -57.52 129.35 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.106 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.431 ' O ' ' CG ' ' A' ' 73' ' ' ARG . 68.3 m -79.01 46.31 0.69 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.431 ' CG ' ' O ' ' A' ' 72' ' ' SER . 51.1 mtp85 -162.46 128.72 3.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.4 mmmt -76.38 162.58 27.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.502 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 2.7 m-70 51.86 52.12 15.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 7.1 m -117.27 145.38 44.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.099 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.585 ' N ' ' CD1' ' A' ' 77' ' ' PHE . 0.3 OUTLIER -131.79 162.47 30.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.485 ' HB3' ' CE2' ' A' ' 88' ' ' PHE . 39.7 pttt -123.96 138.81 54.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.919 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -126.47 102.92 7.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -121.04 154.48 36.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.573 ' HB2' ' CZ ' ' A' ' 60' ' ' PHE . 10.0 t-160 -101.61 162.93 12.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.488 ' H ' ' CD2' ' A' ' 81' ' ' HIS . . . -37.88 99.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.062 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 49.67 50.14 32.02 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.48 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.496 ' CG2' ' HB3' ' A' ' 81' ' ' HIS . 1.3 t -135.06 -172.05 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.832 0.349 . . . . 0.0 111.115 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.44 ' H ' ' CG1' ' A' ' 84' ' ' VAL . 1.8 ttt-85 -41.57 161.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.48 HG22 ' CE1' ' A' ' 88' ' ' PHE . 4.2 m -124.3 105.52 9.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -85.76 150.81 24.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.485 ' CE2' ' HB3' ' A' ' 78' ' ' LYS . 40.6 m-85 -137.94 123.55 19.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.862 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.554 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 72.6 m-85 -121.45 140.58 51.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.7 t -119.84 130.83 55.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -104.86 126.61 52.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.095 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -53.05 -40.41 63.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.2 m -111.62 150.72 42.62 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.702 0.763 . . . . 0.0 110.848 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.502 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 53.9 Cg_endo -69.78 -29.97 22.93 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.713 2.275 . . . . 0.0 112.369 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -68.33 -25.53 65.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -80.71 -52.49 7.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -38.92 -59.8 0.93 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -58.69 -46.6 86.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -52.22 -45.04 65.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.088 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.517 ' CE2' HD12 ' A' ' 17' ' ' LEU . 64.1 m95 -68.9 -55.24 11.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 61.8 mt -43.1 -33.62 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.097 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -85.48 -51.49 6.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.81 -65.97 0.47 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.119 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 3.5 ptm -67.25 -27.23 67.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -63.26 -47.95 83.53 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.431 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 4.7 pt-20 -58.24 -44.13 88.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.824 0.345 . . . . 0.0 110.882 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.431 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -48.51 -33.58 9.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 60' ' ' PHE . . . -74.35 -43.19 57.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 33.0 mtp85 -44.43 149.61 0.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 12.9 p -118.9 136.34 56.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.098 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -124.34 131.44 53.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 20.8 m -112.36 148.7 33.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -38.55 -67.21 0.56 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.521 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 91.26 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.636 2.224 . . . . 0.0 112.343 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 74.1 m -75.97 86.32 2.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 51.7 p -51.72 161.36 0.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.867 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 -179.96 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 m -74.46 107.05 6.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.879 0.371 . . . . 0.0 110.887 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.6 m -43.69 -44.06 6.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.46 158.56 20.71 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.6 p -130.77 155.52 46.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.868 0.366 . . . . 0.0 110.86 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m 52.2 45.14 28.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.57 -68.7 0.41 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.523 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -94.22 135.2 35.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.838 0.352 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -139.56 147.42 52.09 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.594 0.712 . . . . 0.0 111.07 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 178.92 4.1 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.679 2.253 . . . . 0.0 112.312 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.457 HG12 ' N ' ' A' ' 12' ' ' THR . 62.2 t -102.14 138.1 27.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.152 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.457 ' N ' HG12 ' A' ' 11' ' ' VAL . 20.6 m -84.02 -55.28 4.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.2 tttp -148.78 149.08 30.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -155.69 134.75 12.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.09 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.548 ' HA2' ' CZ3' ' A' ' 32' ' ' TRP . . . -176.59 163.77 33.06 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.494 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.448 ' CH2' ' HA ' ' A' ' 45' ' ' ASP . 95.0 m95 -73.57 117.31 15.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.809 0.338 . . . . 0.0 110.906 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.566 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 25.0 mt -128.2 139.67 52.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.47 ' CE2' ' HB2' ' A' ' 30' ' ' LYS . 3.6 m-85 -91.22 119.15 31.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.897 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.2 tttm -100.34 119.57 38.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -51.58 130.31 27.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.09 149.37 41.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.075 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.4 t -101.36 -62.41 1.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 88.6 p -94.02 112.47 24.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 117.95 -172.9 14.58 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.544 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.0 m -48.32 145.22 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.903 0.382 . . . . 0.0 111.099 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -74.16 81.55 1.79 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -121.25 168.4 11.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.478 ' CD1' ' HD2' ' A' ' 73' ' ' ARG . 71.1 m95 -110.31 122.78 48.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -107.16 122.33 46.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.47 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . 21.2 tttm -68.23 126.39 29.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.7 tpp180 -142.93 150.88 40.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.548 ' CZ3' ' HA2' ' A' ' 15' ' ' GLY . 62.1 t-105 -81.2 123.13 28.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.566 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 38.0 m-85 -113.96 138.26 50.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.845 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.424 ' CG1' HG13 ' A' ' 11' ' ' VAL . 59.4 t -136.8 104.97 3.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.153 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 21.6 tp -73.33 120.0 18.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.479 HG13 ' N ' ' A' ' 37' ' ' ASP . 1.2 p -110.34 -177.09 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.118 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.479 ' N ' HG13 ' A' ' 36' ' ' VAL . 8.5 p-10 -43.73 115.73 0.85 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 37' ' ' ASP . 52.2 mtt180 35.68 32.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.467 ' N ' ' O ' ' A' ' 37' ' ' ASP . 4.0 m -154.06 172.12 18.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.0 tp -150.68 120.86 7.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.556 ' CE2' ' HB2' ' A' ' 54' ' ' SER . 79.7 m-85 -117.77 146.22 43.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.569 ' CE2' ' HB2' ' A' ' 52' ' ' LEU . 42.9 p90 -122.55 152.12 40.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.531 ' N ' ' CD1' ' A' ' 43' ' ' TYR . 0.5 OUTLIER -139.46 168.8 19.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.958 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 1.8 mptp? -54.07 -43.77 70.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.448 ' HA ' ' CH2' ' A' ' 16' ' ' TRP . 3.2 m-20 -156.04 -175.41 5.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -48.0 -32.03 6.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 48' ' ' GLU . 37.7 mttp -45.03 -34.94 2.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.511 ' HA ' ' CG ' ' A' ' 43' ' ' TYR . 12.6 pt-20 34.54 44.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -88.52 -32.38 18.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.6 t -123.42 121.56 36.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.824 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.416 HG12 ' CE2' ' A' ' 43' ' ' TYR . 97.4 mt -78.0 131.65 34.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.098 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.569 ' HB2' ' CE2' ' A' ' 42' ' ' TYR . 10.9 mt -95.33 -47.48 6.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.942 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -155.62 154.05 25.23 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.524 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.556 ' HB2' ' CE2' ' A' ' 41' ' ' PHE . 21.8 p -116.98 136.73 52.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.796 0.331 . . . . 0.0 110.876 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 59.1 mt -118.87 104.88 46.21 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.602 0.715 . . . . 0.0 111.161 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.469 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 54.1 Cg_endo -69.7 93.55 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.365 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 84.7 mt -83.29 56.88 3.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.957 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.3 tp -88.05 -58.95 2.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.8 t -127.44 47.18 2.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.469 ' CE1' ' O ' ' A' ' 56' ' ' PRO . 9.5 m-85 -91.05 166.04 13.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 58.5 ttt180 -117.49 94.58 4.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.8 t -94.34 130.46 43.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 64' ' ' ALA . . . -175.11 148.07 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 63' ' ' ALA . . . -36.59 132.05 0.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.08 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 17.3 m -49.68 162.92 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -96.64 158.16 34.1 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.624 0.726 . . . . 0.0 110.93 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 1.59 4.29 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.722 2.282 . . . . 0.0 112.306 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 91.2 p -132.19 46.72 2.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -125.91 10.61 7.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.1 m120 59.92 36.74 21.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.53 HD13 ' CD1' ' A' ' 88' ' ' PHE . 32.5 mm -97.34 89.37 2.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.153 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 71.0 m -85.18 42.64 0.95 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.478 ' HD2' ' CD1' ' A' ' 28' ' ' TRP . 25.1 mtp85 -142.68 134.05 26.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.3 mtmm -80.47 158.13 25.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.508 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 3.5 m-70 58.78 46.48 14.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.435 HG23 ' N ' ' A' ' 77' ' ' PHE . 23.8 m -122.07 145.87 47.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.096 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.435 ' N ' HG23 ' A' ' 76' ' ' THR . 3.9 p90 -129.66 167.21 18.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.821 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.6 pttp -123.6 147.07 47.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -137.37 109.27 7.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.446 ' CB ' ' HA ' ' A' ' 86' ' ' THR . 3.0 pt-20 -135.62 148.37 48.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.45 ' CG ' ' H ' ' A' ' 82' ' ' ALA . 4.2 t-80 -79.34 -175.36 4.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.45 ' H ' ' CG ' ' A' ' 81' ' ' HIS . . . -82.33 37.72 0.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.104 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 125.32 47.34 0.22 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.439 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 85.0 t -130.46 -74.87 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.848 0.356 . . . . 0.0 111.153 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.405 ' HG3' ' N ' ' A' ' 86' ' ' THR . 6.1 tpm_? -157.48 151.23 24.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.446 ' HA ' ' CB ' ' A' ' 80' ' ' GLU . 23.6 m -103.99 140.8 37.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.17 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -121.25 155.83 33.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.942 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.53 ' CD1' HD13 ' A' ' 71' ' ' ILE . 74.5 m-85 -140.15 124.63 17.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.51 ' CE1' ' CE2' ' A' ' 33' ' ' PHE . 39.2 m-85 -130.84 131.34 44.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.6 t -106.95 130.67 54.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.837 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -100.94 132.13 46.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -50.04 -46.74 53.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.9 m -111.46 159.82 31.64 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.663 0.744 . . . . 0.0 110.827 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.508 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 54.2 Cg_endo -69.74 -31.82 19.88 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.714 2.276 . . . . 0.0 112.359 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -61.04 -40.57 94.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 97' ' ' GLN . 6.1 mt-10 -66.18 -55.3 16.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 96' ' ' GLU . 10.4 tt0 -37.7 -63.78 0.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -56.27 -49.04 75.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -46.69 -50.67 17.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.081 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.552 ' CZ2' HD13 ' A' ' 17' ' ' LEU . 70.8 m95 -61.51 -57.76 10.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.951 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 96.8 mt -38.93 -31.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -91.53 -51.55 5.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -49.62 -60.12 3.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.425 ' HG3' ' N ' ' A' ' 105' ' ' GLY . 17.3 ptp -76.63 -35.83 57.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.869 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.425 ' N ' ' HG3' ' A' ' 104' ' ' MET . . . -56.34 -42.61 89.23 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.451 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -65.2 -38.66 91.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.862 0.363 . . . . 0.0 110.874 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -68.9 -23.62 64.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.078 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -92.3 -36.65 13.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -75.59 175.64 8.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 92.6 t -149.41 129.81 4.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 11.4 tp60 -137.25 124.84 22.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 21.2 t -66.38 137.74 57.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.825 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -103.78 -144.32 13.48 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.523 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 2.58 3.4 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.707 2.271 . . . . 0.0 112.345 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 37.3 p 54.76 37.22 28.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 97.6 p -84.6 -40.83 17.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.837 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.495 179.992 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.7 m -65.11 144.53 57.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.836 0.351 . . . . 0.0 110.884 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 t -87.74 99.91 12.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.873 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.01 -83.01 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 t -98.89 170.86 8.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.829 0.347 . . . . 0.0 110.878 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.3 t -106.27 -52.97 2.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.46 120.3 4.71 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.529 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -94.73 88.68 5.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.81 0.338 . . . . 0.0 110.882 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -89.71 146.87 36.39 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.589 0.709 . . . . 0.0 111.08 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 153.87 68.35 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.663 2.242 . . . . 0.0 112.29 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.4 p -64.15 148.02 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.6 m -97.16 -51.47 4.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.9 tttp -152.06 146.11 25.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -149.87 127.12 11.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -169.36 163.49 37.11 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.452 ' CE3' ' HE2' ' A' ' 30' ' ' LYS . 95.4 m95 -75.4 115.57 15.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.813 0.339 . . . . 0.0 110.901 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.459 HD11 ' CE2' ' A' ' 100' ' ' TRP . 33.8 mt -125.24 139.23 53.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -89.89 118.81 29.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.5 tttm -96.79 127.27 42.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -66.03 134.86 53.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.915 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.56 128.06 34.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.081 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 89.1 p -75.74 -47.68 24.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.6 m -103.83 163.38 12.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 67.29 -167.14 40.45 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.514 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 p -46.44 164.01 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 0.0 111.084 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.4 mmtp -96.87 86.86 4.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -123.52 -177.3 3.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 65.6 m95 -123.82 126.08 45.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -111.76 121.64 45.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.452 ' HE2' ' CE3' ' A' ' 16' ' ' TRP . 81.0 tttt -63.39 137.88 58.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 -157.71 148.34 20.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 70.5 t-105 -79.93 117.96 21.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -111.82 131.41 55.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 94.7 t -129.43 104.11 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.171 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 15.0 tp -61.53 132.66 54.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.492 ' CG1' ' HB3' ' A' ' 39' ' ' CYS . 0.8 OUTLIER -125.81 -173.41 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.139 179.855 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' A' ' 39' ' ' CYS . 7.3 t0 -55.11 121.97 9.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.49 ' C ' ' O ' ' A' ' 37' ' ' ASP . 7.4 mtt85 30.27 38.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.506 ' N ' ' O ' ' A' ' 37' ' ' ASP . 1.6 t -168.96 171.99 7.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.5 tp -145.17 139.96 27.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -127.01 150.03 49.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.546 ' CE2' ' HA3' ' A' ' 53' ' ' GLY . 43.4 p90 -130.94 144.16 51.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.531 ' CD2' ' HA ' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -130.34 162.09 29.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.912 -179.887 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.3 tttm -55.36 -42.47 73.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.885 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.79 177.53 9.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.846 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -51.57 -25.46 6.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.479 ' O ' ' C ' ' A' ' 48' ' ' GLU . 20.0 mmtm -48.05 -32.28 6.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.531 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 2.4 pp20? 32.02 37.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 47' ' ' LYS . 7.0 mm-40 -72.7 -35.4 67.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 83.0 p -139.02 126.54 21.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.1 mt -69.04 141.38 17.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.41 ' HB2' ' CE1' ' A' ' 42' ' ' TYR . 22.7 mt -103.54 -43.43 5.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.964 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.546 ' HA3' ' CE2' ' A' ' 42' ' ' TYR . . . -146.43 151.18 23.47 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.462 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 84.3 p -117.11 136.5 52.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.87 0.367 . . . . 0.0 110.854 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 17.5 mt -119.54 106.07 42.81 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.653 0.739 . . . . 0.0 111.123 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 97.33 0.63 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.73 2.286 . . . . 0.0 112.356 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 13.9 mt -81.02 41.91 0.61 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.3 tp -92.91 113.23 25.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 m 63.93 39.57 8.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.42 ' CD1' ' HB2' ' A' ' 81' ' ' HIS . 7.2 m-85 -103.67 142.79 33.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.821 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 39.3 ttp180 -99.21 111.67 24.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.879 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.3 t -106.43 131.54 55.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.159 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -174.25 158.75 3.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.43 143.43 6.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.057 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 30.3 m -66.2 -178.15 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -129.48 161.34 59.5 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.655 0.741 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 2.01 3.95 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.686 2.258 . . . . 0.0 112.336 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.1 t -103.34 -13.39 16.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.888 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -89.22 21.25 3.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.908 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.1 p30 41.02 45.64 2.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 13.4 mm -101.7 85.66 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.0 m -77.31 53.85 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.831 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 26.7 mtp85 -151.61 126.45 9.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.7 mtmt -71.68 174.54 6.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.552 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 3.9 m-70 39.16 44.4 0.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.2 m -117.84 129.56 55.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.409 ' CZ ' ' HB2' ' A' ' 89' ' ' PHE . 13.0 p90 -120.92 159.89 24.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 41.3 pttt -125.76 147.06 49.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -121.09 107.42 12.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.179 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 62.6 tt0 -131.53 136.89 48.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.841 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.484 ' C ' ' CD2' ' A' ' 81' ' ' HIS . 1.8 t-160 -98.7 -74.85 0.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 83' ' ' GLY . . . -164.16 105.79 0.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.082 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 82' ' ' ALA . . . 34.07 43.78 0.34 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.53 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.46 HG12 ' N ' ' A' ' 85' ' ' ARG . 9.5 p -121.18 -51.09 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.808 0.337 . . . . 0.0 111.112 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.46 ' N ' HG12 ' A' ' 84' ' ' VAL . 8.4 ttm180 -170.86 151.15 3.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.435 HG21 ' CE1' ' A' ' 88' ' ' PHE . 15.4 m -128.55 100.93 5.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -85.97 160.28 19.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.435 ' CE1' HG21 ' A' ' 86' ' ' THR . 87.1 m-85 -142.42 134.46 27.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.856 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.409 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . 30.3 m-85 -137.81 140.4 40.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 16.1 t -119.04 107.69 13.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.24 129.53 35.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -51.6 -44.86 62.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.4 m -112.3 157.31 40.35 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.663 0.744 . . . . 0.0 110.845 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.552 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 53.5 Cg_endo -69.72 -33.94 15.71 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.704 2.269 . . . . 0.0 112.322 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -62.45 -31.48 72.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -75.18 -48.58 22.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -42.69 -65.75 0.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.957 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -53.09 -48.71 67.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -49.91 -46.25 51.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.459 ' CE2' HD11 ' A' ' 17' ' ' LEU . 59.6 m95 -66.84 -58.8 4.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 59.6 mt -39.23 -34.51 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -88.45 -47.01 8.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.2 -61.91 1.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 6.2 ptp -76.04 -21.8 56.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -68.73 -46.18 62.27 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.503 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.411 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 6.9 pt-20 -61.3 -43.11 99.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.851 0.358 . . . . 0.0 110.861 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.411 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -51.62 -30.65 22.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.122 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.14 -43.41 70.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.079 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -49.19 151.4 1.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.412 ' O ' ' C ' ' A' ' 111' ' ' GLN . 99.8 t -129.0 95.13 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.176 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 110' ' ' VAL . 30.6 tp60 -36.88 -55.17 0.91 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.6 t -172.2 110.53 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -113.79 -103.01 2.54 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.496 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -44.61 1.97 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.697 2.265 . . . . 0.0 112.325 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 13.4 t -143.1 151.15 40.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.0 m -44.84 160.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.89 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.521 -179.997 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -77.55 168.86 19.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.854 0.359 . . . . 0.0 110.896 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 t -121.42 171.91 8.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.81 137.02 13.93 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.517 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t -121.09 168.89 11.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.84 0.353 . . . . 0.0 110.87 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.6 t -78.04 153.32 32.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.61 159.31 30.45 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.441 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 39.7 42.4 0.96 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.886 0.374 . . . . 0.0 110.938 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -97.73 156.05 36.49 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.611 0.72 . . . . 0.0 111.075 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 168.09 22.47 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.692 2.262 . . . . 0.0 112.371 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 85.3 t -96.37 131.64 42.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.113 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.8 m -83.85 -54.89 4.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.5 tttp -151.27 151.55 31.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -155.27 135.1 12.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.074 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -171.8 168.34 41.43 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.46 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.444 ' CE3' ' HE2' ' A' ' 30' ' ' LYS . 93.3 m95 -78.14 118.14 20.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.777 0.322 . . . . 0.0 110.921 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.544 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 60.2 mt -131.2 141.52 50.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.951 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -90.91 131.11 36.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -104.69 110.37 22.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -51.08 129.06 23.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -53.56 161.8 0.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.108 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.7 t -76.1 -177.62 4.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.8 t -46.31 111.3 0.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 136.25 -110.65 0.81 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.49 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.447 ' CG2' ' O ' ' A' ' 25' ' ' VAL . 24.3 m -57.86 107.84 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.909 0.385 . . . . 0.0 111.131 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.61 44.66 0.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.929 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -112.03 147.74 35.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 30.7 m95 -98.04 145.58 26.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 -126.67 109.57 12.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.934 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.444 ' HE2' ' CE3' ' A' ' 16' ' ' TRP . 74.7 tttt -51.24 140.12 17.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.49 148.5 23.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.458 ' CD1' ' HA ' ' A' ' 46' ' ' GLU . 65.5 t-105 -81.59 123.35 28.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.544 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 50.7 m-85 -114.41 146.11 41.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 60.3 t -143.82 106.49 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 45.2 tp -63.17 131.48 48.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.96 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.501 ' CG1' ' HB3' ' A' ' 39' ' ' CYS . 0.9 OUTLIER -129.0 -173.73 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.152 179.86 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.469 ' O ' ' C ' ' A' ' 38' ' ' ARG . 1.3 m-20 -49.32 115.49 1.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.469 ' C ' ' O ' ' A' ' 37' ' ' ASP . 12.7 mtm105 30.75 43.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.501 ' HB3' ' CG1' ' A' ' 36' ' ' VAL . 1.2 t -166.6 170.82 12.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.5 tp -143.97 123.46 13.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.533 ' CE1' ' HB2' ' A' ' 54' ' ' SER . 82.7 m-85 -110.64 149.6 30.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.7 p90 -132.49 139.94 48.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.543 ' CE2' HG12 ' A' ' 51' ' ' ILE . 0.3 OUTLIER -128.93 163.71 24.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.9 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.418 ' HG2' ' CD1' ' A' ' 52' ' ' LEU . 0.0 OUTLIER -47.45 -43.47 24.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.926 179.898 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -153.23 -176.16 5.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.458 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 8.9 pt-20 -50.91 -33.7 25.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -43.17 -38.36 2.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.5 ' HA ' ' CG ' ' A' ' 43' ' ' TYR . 14.6 pt-20 41.1 33.68 0.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -65.44 -40.13 92.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 41.5 t -133.97 139.81 46.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.543 HG12 ' CE2' ' A' ' 43' ' ' TYR . 44.5 mt -87.31 135.73 24.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.147 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.418 ' CD1' ' HG2' ' A' ' 44' ' ' LYS . 6.2 mt -103.34 -46.62 4.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -151.56 146.41 15.18 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.475 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.533 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 10.9 t -114.65 159.89 19.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.841 0.353 . . . . 0.0 110.883 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 29.2 mt -132.01 118.08 16.26 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.646 0.736 . . . . 0.0 111.137 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.557 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 53.6 Cg_endo -69.73 118.25 5.57 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.703 2.269 . . . . 0.0 112.315 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 19.4 mt -108.8 53.3 0.69 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.912 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.446 ' O ' ' NE2' ' A' ' 81' ' ' HIS . 21.6 tp -101.15 111.15 23.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.5 t 60.93 26.43 16.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.557 ' CE1' ' O ' ' A' ' 56' ' ' PRO . 5.2 m-85 -76.08 158.15 32.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -110.67 93.51 4.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.0 t -97.01 123.59 49.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.403 ' O ' ' C ' ' A' ' 64' ' ' ALA . . . -168.11 146.4 4.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.061 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 63' ' ' ALA . . . -36.41 139.73 0.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.4 m -50.93 179.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.431 ' CD ' ' HD2' ' A' ' 67' ' ' PRO . 5.0 mm-40 -111.05 161.86 23.2 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.647 0.737 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.431 ' HD2' ' CD ' ' A' ' 66' ' ' GLN . 53.8 Cg_endo -69.7 -21.58 33.55 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.735 2.29 . . . . 0.0 112.378 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 83.7 p -75.03 -28.41 60.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.822 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -74.59 -32.9 62.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 50.13 51.01 17.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 15.7 mm -62.81 111.19 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.9 t -38.59 -55.55 1.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 40.8 mtp85 -65.88 141.65 58.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 75' ' ' HIS . 28.8 mttp -85.91 -177.24 6.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.938 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 74' ' ' LYS . 2.6 m-70 34.54 53.26 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.849 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.409 HG23 ' N ' ' A' ' 77' ' ' PHE . 90.7 m -116.34 138.19 51.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.086 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.467 ' CZ ' ' HB2' ' A' ' 89' ' ' PHE . 18.3 p90 -121.15 160.7 23.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.845 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 36.4 pttt -119.43 141.73 48.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -133.72 108.92 8.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.7 pm0 -128.21 156.3 43.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.451 ' HB2' ' CZ ' ' A' ' 60' ' ' PHE . 9.2 t-160 -90.16 11.98 19.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 75.0 52.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 135.78 -60.53 0.63 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.487 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 46.1 t -41.19 -73.23 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.855 0.36 . . . . 0.0 111.156 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 26.9 ttm180 -162.49 155.23 19.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 35.6 m -112.07 131.64 55.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -106.71 139.71 40.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -118.08 118.95 33.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.467 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . 64.8 m-85 -123.32 135.08 54.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 42.5 t -112.14 132.07 55.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.827 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -104.92 126.92 52.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.121 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -48.3 -40.86 26.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.945 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.7 m -117.68 154.51 50.93 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.685 0.755 . . . . 0.0 110.849 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.4 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 53.8 Cg_endo -69.75 -26.69 27.36 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.674 2.249 . . . . 0.0 112.318 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -68.81 -35.86 77.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -72.25 -44.74 62.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -47.13 -60.45 2.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -56.49 -49.49 74.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -49.4 -46.32 47.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.104 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 54.1 m95 -66.88 -55.08 16.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 81.8 mt -41.69 -34.88 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.149 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -87.12 -50.62 6.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -51.3 -57.63 8.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.1 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 5.2 ptp -80.28 -17.24 52.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -71.27 -43.82 54.24 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.506 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.412 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 5.0 pt-20 -66.2 -42.44 88.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.926 0.393 . . . . 0.0 110.925 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.412 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -51.85 -31.69 28.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.077 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.89 -44.53 66.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.099 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 -47.32 165.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.861 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 8.9 p -126.91 126.5 68.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.117 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -54.81 93.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.0 m -54.37 137.73 41.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 117.64 179.95 17.34 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.508 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -15.9 37.03 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.662 2.241 . . . . 0.0 112.338 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.3 t -38.24 -55.65 1.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 37.2 p 41.7 43.19 2.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.488 179.997 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.1 t -53.39 168.53 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 110.871 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.2 m -94.27 -46.56 7.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.53 105.08 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.482 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.6 p -51.98 155.78 1.73 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.916 0.389 . . . . 0.0 110.836 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.0 p -158.73 156.44 29.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.843 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.12 -108.49 2.49 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.466 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -155.38 128.01 7.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.83 0.348 . . . . 0.0 110.889 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -97.67 155.49 37.14 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.578 0.704 . . . . 0.0 111.119 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 172.42 12.66 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.658 2.239 . . . . 0.0 112.328 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.465 HG23 ' N ' ' A' ' 12' ' ' THR . 7.6 p -80.28 142.61 13.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.465 ' N ' HG23 ' A' ' 11' ' ' VAL . 8.1 m -92.97 -47.76 6.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.0 tttp -154.73 158.31 39.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -162.66 132.73 4.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.098 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -171.32 163.02 35.79 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.525 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.564 ' CE3' ' HE2' ' A' ' 30' ' ' LYS . 97.4 m95 -75.62 109.5 9.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.785 0.326 . . . . 0.0 110.899 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.527 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 33.6 mt -118.82 140.05 50.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -89.92 120.35 31.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.2 tttm -98.47 130.23 45.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -70.01 137.47 51.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.99 171.57 7.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.053 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.5 m -84.02 177.69 8.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.6 t -39.12 157.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 104.4 -95.81 1.19 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.514 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.3 m -98.16 123.84 50.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.887 0.375 . . . . 0.0 111.105 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.406 ' HD2' ' N ' ' A' ' 26' ' ' LYS . 1.1 mptp? -85.18 91.16 8.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -139.54 157.29 46.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.5 ' CE2' ' HD3' ' A' ' 73' ' ' ARG . 61.6 m95 -110.87 124.72 52.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.923 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -106.99 122.52 46.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.564 ' HE2' ' CE3' ' A' ' 16' ' ' TRP . 79.4 tttt -70.1 129.24 38.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -145.94 152.19 39.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 56.3 t-105 -78.98 115.18 18.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.937 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.527 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 41.2 m-85 -107.06 136.76 46.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 93.4 t -135.2 112.29 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 32.6 tp -73.76 148.78 42.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.518 ' O ' ' C ' ' A' ' 37' ' ' ASP . 8.9 p -131.62 174.01 13.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.137 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.518 ' C ' ' O ' ' A' ' 36' ' ' VAL . 4.2 t0 -28.02 -73.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -132.48 52.25 2.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.41 ' C ' HG13 ' A' ' 36' ' ' VAL . 1.7 t -175.74 170.67 2.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.8 tp -135.31 129.82 34.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.534 ' CE2' ' HB2' ' A' ' 54' ' ' SER . 86.8 m-85 -121.35 148.71 44.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.551 ' CE1' ' HB2' ' A' ' 52' ' ' LEU . 50.6 p90 -129.36 148.15 51.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.556 ' CE2' HG12 ' A' ' 51' ' ' ILE . 0.4 OUTLIER -132.97 158.91 41.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.952 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.8 mmmp? -45.13 -46.48 11.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.8 p-10 -151.56 171.17 18.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -45.35 -35.94 3.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -42.58 -36.1 1.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.501 ' HG2' ' CG ' ' A' ' 43' ' ' TYR . 22.5 mt-10 58.34 39.13 25.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -53.44 -47.63 69.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.4 m -152.22 160.93 43.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.556 HG12 ' CE2' ' A' ' 43' ' ' TYR . 72.5 mt -93.94 128.78 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.131 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.551 ' HB2' ' CE1' ' A' ' 42' ' ' TYR . 11.4 mt -88.9 -48.19 7.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.458 ' O ' ' CE2' ' A' ' 42' ' ' TYR . . . -160.43 151.18 21.68 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.534 ' HB2' ' CE2' ' A' ' 41' ' ' PHE . 26.0 t -110.27 148.88 31.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.867 0.365 . . . . 0.0 110.821 -179.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.567 HG21 ' CE2' ' A' ' 87' ' ' TYR . 29.9 mt -118.1 117.68 34.98 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.643 0.735 . . . . 0.0 111.095 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.585 ' O ' ' CE2' ' A' ' 60' ' ' PHE . 54.2 Cg_endo -69.75 134.19 27.42 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.686 2.258 . . . . 0.0 112.357 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.405 ' O ' ' CD1' ' A' ' 60' ' ' PHE . 48.1 mt -113.8 -29.48 7.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 57' ' ' LEU . 17.9 tp -37.17 104.04 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.1 t 74.69 54.81 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.585 ' CE2' ' O ' ' A' ' 56' ' ' PRO . 5.0 m-85 -122.36 145.05 48.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.833 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -95.66 96.56 9.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 44.9 t -98.82 126.87 51.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.14 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -175.33 155.46 1.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.26 137.04 2.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 33.9 m -59.8 -175.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -134.72 161.0 66.33 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.553 0.692 . . . . 0.0 110.94 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 0.71 5.24 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.676 2.251 . . . . 0.0 112.365 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 m -98.88 -18.57 17.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -88.34 14.58 9.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.3 t30 52.03 38.45 24.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 34.3 mm -95.07 85.36 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 46.0 m -84.37 39.9 0.75 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.834 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.5 ' HD3' ' CE2' ' A' ' 28' ' ' TRP . 13.7 mtp180 -128.74 122.2 30.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.842 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.06 151.51 46.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.404 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 2.5 m-70 59.55 45.97 12.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 18.2 m -121.68 144.15 48.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.174 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.557 ' CZ ' ' HB2' ' A' ' 89' ' ' PHE . 19.7 p90 -132.56 159.76 38.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -117.11 147.45 42.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -133.42 105.44 6.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.145 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -142.7 132.25 23.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -74.73 -72.94 0.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -174.46 105.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.098 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 56.65 32.54 61.6 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.51 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.422 HG12 ' N ' ' A' ' 85' ' ' ARG . 22.9 t -116.14 -72.19 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.814 0.34 . . . . 0.0 111.171 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.422 ' N ' HG12 ' A' ' 84' ' ' VAL . 27.7 ttm180 -165.58 141.44 5.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.859 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.7 m -110.19 105.77 14.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.567 ' CE2' HG21 ' A' ' 55' ' ' ILE . 72.3 m-85 -84.53 124.5 31.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.92 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -103.53 130.27 50.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.557 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . 55.0 m-85 -135.46 134.32 39.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.895 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 41.5 t -116.96 110.61 18.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.14 136.61 42.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.086 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -53.67 -41.41 66.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.1 m -121.57 157.07 57.6 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.706 0.765 . . . . 0.0 110.834 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.404 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 53.7 Cg_endo -69.77 -18.86 36.72 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.654 2.236 . . . . 0.0 112.319 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -72.45 -37.17 68.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 97' ' ' GLN . 12.6 mm-40 -77.67 -47.95 17.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.874 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 96' ' ' GLU . 14.7 tt0 -34.83 -54.15 0.56 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -66.47 -46.95 74.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -47.83 -46.94 31.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.442 ' O ' ' N ' ' A' ' 102' ' ' GLN . 77.9 m95 -65.65 -61.38 2.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.924 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.413 ' C ' ' O ' ' A' ' 100' ' ' TRP . 96.6 mt -36.29 -32.89 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 100' ' ' TRP . 22.3 mt-30 -91.6 -47.28 7.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.94 -53.79 52.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 6.9 ptm -81.31 -31.94 33.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.849 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -64.57 -39.24 96.64 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.478 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.455 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 6.3 pt-20 -63.43 -45.05 92.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.842 0.353 . . . . 0.0 110.85 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.455 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -56.23 -32.17 64.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.066 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -63.84 -46.03 86.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.073 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 -42.76 162.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 94.9 t -128.46 124.17 61.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -143.56 135.04 26.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 19.4 m -137.39 156.76 47.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -44.14 147.32 1.29 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.477 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 175.7 7.78 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.705 2.27 . . . . 0.0 112.274 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.2 t -160.48 125.06 3.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 74.9 p -134.79 112.21 10.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.493 -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.9 p -83.51 44.4 0.96 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 0.0 110.833 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.1 m -141.83 135.87 30.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.41 -115.43 4.31 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.471 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 t -46.33 149.82 0.7 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.845 0.355 . . . . 0.0 110.889 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.5 m -122.48 149.13 44.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.851 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.37 127.3 7.22 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -67.94 134.61 51.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.804 0.335 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -127.7 156.67 75.24 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.568 0.699 . . . . 0.0 111.109 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 163.0 39.87 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.68 2.253 . . . . 0.0 112.391 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.3 p -70.55 146.68 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.1 m -96.55 -45.98 6.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.14 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.0 tttp -155.68 150.84 26.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -155.64 134.76 12.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.082 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.524 ' HA2' ' CZ3' ' A' ' 32' ' ' TRP . . . -171.6 161.03 33.2 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.463 ' CD1' ' CZ3' ' A' ' 32' ' ' TRP . 90.2 m95 -73.04 106.62 4.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.799 0.333 . . . . 0.0 110.928 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.558 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 18.4 mt -116.97 140.28 49.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -87.13 117.79 26.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.1 tttm -97.98 116.98 31.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -60.11 128.17 35.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -46.58 164.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 73.5 m -107.77 -38.94 5.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 27.0 m -61.64 178.79 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.838 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -41.61 -51.74 4.67 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.448 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 23.8 m -42.16 160.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.886 0.374 . . . . 0.0 111.115 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -134.56 41.88 2.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -104.14 154.23 19.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.447 ' CD1' ' NE ' ' A' ' 73' ' ' ARG . 37.9 m95 -94.87 137.76 33.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -122.03 102.41 8.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.462 ' HE2' ' CE3' ' A' ' 16' ' ' TRP . 61.3 tttt -45.0 127.95 6.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.3 tpp180 -145.79 147.95 32.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.524 ' CZ3' ' HA2' ' A' ' 15' ' ' GLY . 60.4 t-105 -78.51 120.54 23.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.558 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 30.0 m-85 -110.33 147.02 34.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 60.5 t -145.42 106.96 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.163 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 16.4 tp -66.03 132.93 49.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.468 ' CG1' ' HB2' ' A' ' 39' ' ' CYS . 1.5 p -124.78 -179.96 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -48.74 112.5 0.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 40.4 mtt85 39.13 41.02 0.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.468 ' HB2' ' CG1' ' A' ' 36' ' ' VAL . 1.8 m -164.8 175.38 9.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 31.0 tp -149.01 128.06 12.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -118.41 162.87 17.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 18.8 p90 -145.33 147.08 31.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.49 ' N ' ' CD1' ' A' ' 43' ' ' TYR . 0.6 OUTLIER -135.13 163.07 30.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.924 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.6 mtmm -57.11 -36.87 71.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.417 ' HA ' ' CH2' ' A' ' 16' ' ' TRP . 20.6 t70 -155.2 170.31 22.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.863 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -47.65 -30.38 3.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.423 ' C ' ' HG2' ' A' ' 48' ' ' GLU . 33.1 mttm -49.97 -33.52 17.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.924 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.423 ' HG2' ' C ' ' A' ' 47' ' ' LYS . 12.1 pt-20 38.78 53.03 1.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -58.97 -56.15 25.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 30.0 t -144.68 120.15 10.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.854 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 69.2 mt -45.05 143.23 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.134 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.9 mt -110.71 -41.86 4.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -145.15 145.64 15.13 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.5 p -113.42 131.65 55.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.902 0.382 . . . . 0.0 110.863 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 69.4 mt -113.25 104.98 55.68 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.646 0.736 . . . . 0.0 111.164 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.402 ' O ' ' CZ ' ' A' ' 60' ' ' PHE . 53.8 Cg_endo -69.8 136.38 32.73 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.683 2.255 . . . . 0.0 112.344 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 26.4 mt -116.47 -16.32 10.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.44 ' CD1' ' OE1' ' A' ' 111' ' ' GLN . 11.0 tp -48.44 105.76 0.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.445 ' N ' ' HG3' ' A' ' 111' ' ' GLN . 5.6 t 74.38 51.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.831 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.566 ' CE2' ' HB2' ' A' ' 81' ' ' HIS . 5.8 m-85 -118.35 -179.54 3.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -134.46 96.73 3.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 47.0 t -97.67 127.95 49.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 64' ' ' ALA . . . -173.18 149.47 1.81 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 63' ' ' ALA . . . -34.69 147.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.078 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.2 m -54.42 173.73 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.096 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -102.13 161.55 23.04 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.579 0.704 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -21.09 34.04 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.718 2.279 . . . . 0.0 112.312 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.1 t -74.78 -35.82 62.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -67.26 -38.05 84.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 58.8 44.01 17.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.458 HG21 ' CB ' ' A' ' 76' ' ' THR . 48.8 mm -58.65 90.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.135 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 71' ' ' ILE . 39.7 t -34.39 -46.88 0.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.447 ' NE ' ' CD1' ' A' ' 28' ' ' TRP . 4.9 mtm-85 -60.02 130.17 45.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.4 mtmm -83.14 151.86 25.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.931 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.442 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 4.1 m-70 68.24 41.5 1.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.879 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.459 HG23 ' N ' ' A' ' 77' ' ' PHE . 64.8 m -108.85 142.54 39.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.541 ' CE2' ' HB2' ' A' ' 89' ' ' PHE . 1.9 p90 -130.34 156.9 43.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.842 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.6 pttt -122.31 153.46 38.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -132.87 120.48 21.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.072 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.405 ' HG2' ' N ' ' A' ' 81' ' ' HIS . 42.7 tt0 -116.69 159.09 22.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.566 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . 13.6 t-160 -133.87 57.67 1.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.839 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 72.89 25.09 2.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.074 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.46 ' O ' ' C ' ' A' ' 84' ' ' VAL . . . 103.72 -30.88 9.41 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.457 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.46 ' C ' ' O ' ' A' ' 83' ' ' GLY . 96.2 t -32.08 -62.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.804 0.335 . . . . 0.0 111.148 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -162.2 136.46 6.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.9 m -105.48 100.4 9.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.144 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -81.95 150.0 27.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -128.72 123.45 33.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.541 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 43.1 m-85 -122.46 129.21 51.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 13.2 t -107.08 126.51 52.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -102.33 130.54 49.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.128 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -53.4 -44.52 68.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.0 m -112.22 156.92 41.29 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.65 0.738 . . . . 0.0 110.862 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.442 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 54.7 Cg_endo -69.72 -33.66 16.31 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.671 2.247 . . . . 0.0 112.374 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -59.64 -38.66 81.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 97' ' ' GLN . 5.7 mt-10 -69.36 -57.41 5.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 96' ' ' GLU . 11.8 tt0 -35.88 -64.35 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -53.87 -60.23 3.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -39.31 -53.89 1.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.079 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.503 ' CE2' HD11 ' A' ' 17' ' ' LEU . 61.4 m95 -57.1 -59.87 4.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . 0.422 ' C ' ' O ' ' A' ' 100' ' ' TRP . 96.6 mt -36.06 -32.53 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.08 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 100' ' ' TRP . 6.5 mm100 -91.01 -61.31 1.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 102' ' ' GLN . . . -37.36 -53.3 1.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.097 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.455 ' HG3' ' N ' ' A' ' 105' ' ' GLY . 18.1 ptp -85.03 -37.22 20.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.455 ' N ' ' HG3' ' A' ' 104' ' ' MET . . . -51.4 -55.87 17.67 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.484 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.452 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 5.3 pt-20 -45.52 -46.01 13.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.86 0.362 . . . . 0.0 110.918 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.452 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -53.25 -31.18 42.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.119 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -91.85 -34.33 14.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.468 ' O ' ' C ' ' A' ' 110' ' ' VAL . 1.2 mpt_? -55.1 142.16 31.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.542 ' O ' ' CG1' ' A' ' 110' ' ' VAL . 72.3 t 32.32 55.06 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.096 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . 0.445 ' HG3' ' N ' ' A' ' 59' ' ' SER . 0.5 OUTLIER -47.1 148.01 1.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 24.0 p 43.44 52.27 5.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -159.2 -164.2 14.22 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.462 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 90.77 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.674 2.249 . . . . 0.0 112.325 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 70.9 p -88.21 82.38 7.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 5.0 t 64.65 41.12 5.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.481 -179.968 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.2 t -70.81 104.54 2.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.904 0.383 . . . . 0.0 110.864 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.9 t -156.07 111.44 2.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.862 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.74 115.44 4.44 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.2 t -158.74 150.53 21.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.892 0.377 . . . . 0.0 110.897 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.7 p -114.39 44.49 1.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.807 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.58 64.25 4.38 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.61 158.02 23.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.864 0.364 . . . . 0.0 110.875 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -161.42 143.71 9.03 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.563 0.697 . . . . 0.0 111.085 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 155.13 66.68 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.69 2.26 . . . . 0.0 112.343 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.415 HG22 ' CG1' ' A' ' 34' ' ' VAL . 9.9 p -91.66 136.19 25.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.092 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.5 m -99.57 -45.74 5.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.158 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.505 ' HE2' ' CE2' ' A' ' 100' ' ' TRP . 44.8 tttt -155.02 143.12 20.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.53 ' HB2' ' CZ2' ' A' ' 32' ' ' TRP . . . -145.26 137.54 25.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.141 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -175.07 163.35 33.46 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.469 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 92.2 m95 -81.72 116.99 21.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.813 0.339 . . . . 0.0 110.919 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.528 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 29.4 mt -124.63 172.87 8.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.56 ' CZ ' ' HD3' ' A' ' 30' ' ' LYS . 9.7 m-85 -115.71 117.49 30.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.8 tttm -97.21 127.04 42.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -62.81 145.82 54.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.43 111.41 22.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.084 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 23' ' ' SER . 48.3 p -88.01 -33.94 18.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.852 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 22' ' ' SER . 43.5 m -36.75 -69.49 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.843 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -157.51 -89.33 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.496 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.8 m -37.19 135.32 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.892 0.377 . . . . 0.0 111.126 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 47.0 mmtt -85.26 83.53 7.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -137.28 179.78 6.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 70.4 m95 -129.83 120.21 24.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -103.1 118.93 37.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.867 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.56 ' HD3' ' CZ ' ' A' ' 18' ' ' PHE . 5.7 ttpm? -79.42 126.77 31.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.473 ' NE ' ' HA ' ' A' ' 44' ' ' LYS . 20.0 mmt-85 -138.03 164.84 28.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.53 ' CZ2' ' HB2' ' A' ' 14' ' ' ALA . 67.1 t-105 -82.45 112.62 19.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.528 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 46.5 m-85 -99.95 138.39 37.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.415 ' CG1' HG22 ' A' ' 11' ' ' VAL . 44.8 t -134.87 96.2 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 11.9 tp -64.81 112.92 3.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.471 ' CG1' ' HB2' ' A' ' 39' ' ' CYS . 0.9 OUTLIER -101.13 -178.48 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 179.832 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.46 ' N ' HG13 ' A' ' 36' ' ' VAL . 18.3 m-20 -50.51 111.25 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 24.8 mtt85 43.59 40.08 2.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.866 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.471 ' HB2' ' CG1' ' A' ' 36' ' ' VAL . 1.6 m -166.05 167.13 16.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 41.2 tp -142.9 129.01 19.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.459 ' CE1' ' HB2' ' A' ' 54' ' ' SER . 96.8 m-85 -127.01 147.98 50.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.563 ' CE2' ' HB2' ' A' ' 52' ' ' LEU . 22.0 p90 -121.8 166.53 14.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.542 ' CD1' ' C ' ' A' ' 42' ' ' TYR . 0.5 OUTLIER -149.94 162.42 40.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.91 -179.905 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.473 ' HA ' ' NE ' ' A' ' 31' ' ' ARG . 63.1 mttt -51.53 -31.77 25.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.893 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -171.58 169.53 6.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.931 179.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.409 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 2.0 pp20? -41.58 -28.51 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.875 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -42.04 -41.72 2.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.528 ' HG2' ' CE2' ' A' ' 43' ' ' TYR . 3.9 tt0 52.56 53.32 12.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -87.78 -27.56 22.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 47.5 t -162.86 144.59 10.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.541 HG12 ' CE2' ' A' ' 43' ' ' TYR . 41.7 mt -90.64 130.57 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.112 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.563 ' HB2' ' CE2' ' A' ' 42' ' ' TYR . 1.1 mm? -86.13 -39.36 16.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.936 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -151.8 162.69 29.79 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.475 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.459 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 30.8 p -116.59 142.27 47.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.813 0.339 . . . . 0.0 110.829 -179.687 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 47.4 mt -123.37 104.99 34.04 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.646 0.736 . . . . 0.0 111.117 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 135.26 30.01 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.689 2.259 . . . . 0.0 112.35 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 41.7 mt -129.55 55.6 1.76 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.6 tp -77.75 -68.99 0.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 95.1 p -126.01 26.26 6.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 81' ' ' HIS . 6.7 m-85 -60.7 175.89 0.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.916 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 34.7 ttt180 -127.84 95.77 4.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.8 t -96.92 128.36 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.085 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -168.66 179.79 4.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.149 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.14 144.61 54.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 12.1 m -70.33 -177.2 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.118 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.49 ' NE2' ' HA ' ' A' ' 66' ' ' GLN . 2.4 mm-40 -129.91 164.98 36.72 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.532 0.682 . . . . 0.0 110.952 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -13.1 34.27 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.72 2.28 . . . . 0.0 112.39 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.5 t -102.79 15.8 28.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.75 -17.3 17.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.1 t30 72.15 41.35 0.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 17.0 mm -91.15 -50.81 12.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.4 t 56.31 44.9 23.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 35.7 mtp180 -152.52 121.3 6.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.409 ' NZ ' ' HB3' ' A' ' 74' ' ' LYS . 1.4 mmmp? -70.85 158.84 35.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.943 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.513 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 0.9 OUTLIER 59.65 36.46 22.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.819 179.893 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.405 ' CG2' ' O ' ' A' ' 89' ' ' PHE . 25.4 m -116.63 140.57 49.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.129 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.469 ' CE2' ' HB2' ' A' ' 89' ' ' PHE . 6.5 p90 -130.75 158.15 40.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.558 ' HB3' ' CE1' ' A' ' 88' ' ' PHE . 30.3 pttt -121.34 155.93 33.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -129.08 118.11 21.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -119.8 144.08 47.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 60' ' ' PHE . 9.5 t-80 -123.75 171.14 9.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.461 ' H ' ' CD2' ' A' ' 81' ' ' HIS . . . -46.62 89.9 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.101 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 81' ' ' HIS . . . 34.62 56.62 0.77 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.497 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 89.2 t -122.3 -64.37 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.813 0.34 . . . . 0.0 111.144 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -162.98 151.9 14.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.9 m -116.55 101.06 8.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.173 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -84.34 166.54 17.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.558 ' CE1' ' HB3' ' A' ' 78' ' ' LYS . 60.9 m-85 -145.07 141.68 29.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.859 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.469 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 49.2 m-85 -140.1 137.81 34.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.7 t -120.3 130.16 54.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.843 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -101.63 143.16 31.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.086 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -71.96 -18.54 61.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 45.1 m -131.35 150.81 77.49 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.67 0.748 . . . . 0.0 110.842 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.513 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 53.3 Cg_endo -69.85 -30.19 22.27 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.7 2.266 . . . . 0.0 112.306 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -70.99 -26.97 63.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -78.35 -46.79 19.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.418 ' CD ' ' HA ' ' A' ' 75' ' ' HIS . 11.2 tt0 -45.37 -66.75 0.36 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 99' ' ' ALA . 22.9 mm-40 -50.94 -60.94 2.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 98' ' ' GLU . . . -38.07 -42.98 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.505 ' CE2' ' HE2' ' A' ' 13' ' ' LYS . 42.2 m95 -70.61 -55.56 8.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 72.1 mt -43.77 -29.13 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.125 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -90.63 -55.12 3.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -49.48 -53.12 24.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.098 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.415 ' HG2' ' N ' ' A' ' 105' ' ' GLY . 3.9 ptm -80.75 -35.55 33.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.415 ' N ' ' HG2' ' A' ' 104' ' ' MET . . . -52.31 -53.03 33.39 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.46 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.488 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 8.8 pt-20 -50.96 -49.49 59.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.909 0.385 . . . . 0.0 110.9 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.488 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -47.25 -25.98 1.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.098 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -86.99 -35.07 19.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.082 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -85.73 157.61 20.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.886 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 78.3 t -130.08 124.51 58.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -45.26 169.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.4 m -116.31 -58.52 2.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -38.86 -88.9 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.429 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 131.36 21.03 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.629 2.219 . . . . 0.0 112.358 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.2 m -87.05 141.37 28.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.883 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 13.1 t -172.49 135.42 0.71 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.533 -179.935 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.6 p -143.62 150.73 39.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.945 0.402 . . . . 0.0 110.873 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 t -124.81 42.22 3.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.808 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.14 83.04 0.31 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.506 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.7 m -95.23 83.33 3.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.91 0.386 . . . . 0.0 110.83 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.2 p -151.94 157.82 42.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.2 -155.63 16.02 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.511 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -124.66 117.03 23.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.793 0.33 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -116.03 160.77 34.16 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.579 0.704 . . . . 0.0 111.074 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 167.59 24.01 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.7 2.267 . . . . 0.0 112.307 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 97.1 t -95.28 138.7 20.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 71.8 m -91.18 -44.03 9.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.507 ' HE2' ' CE2' ' A' ' 100' ' ' TRP . 31.5 tttt -157.88 154.26 27.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -160.2 135.24 7.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.112 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.447 ' HA2' ' CZ3' ' A' ' 32' ' ' TRP . . . -176.16 166.26 37.26 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.463 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.563 ' CE3' ' HE2' ' A' ' 30' ' ' LYS . 93.1 m95 -78.65 118.38 20.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.791 0.329 . . . . 0.0 110.923 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.2 mt -127.29 161.77 27.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -104.69 119.93 40.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.4 tttt -103.02 128.46 49.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -57.37 144.83 34.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.87 127.91 35.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.112 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.4 p -103.69 42.46 1.17 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.4 p -151.72 133.66 15.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 39.25 -126.25 2.06 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.1 m -50.19 123.52 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.867 0.365 . . . . 0.0 111.104 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm -81.29 85.67 6.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -124.39 154.52 40.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 40.7 m95 -87.44 134.07 33.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -117.16 147.13 42.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.926 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.563 ' HE2' ' CE3' ' A' ' 16' ' ' TRP . 25.3 tttt -89.89 133.66 34.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -150.74 154.09 36.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.447 ' CZ3' ' HA2' ' A' ' 15' ' ' GLY . 52.7 t-105 -79.31 115.47 18.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.951 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -107.98 132.37 53.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.841 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 62.4 t -130.94 111.71 20.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.109 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 22.2 tp -76.85 143.63 39.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.878 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.509 ' O ' ' C ' ' A' ' 37' ' ' ASP . 5.4 p -126.88 174.85 9.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.121 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.509 ' C ' ' O ' ' A' ' 36' ' ' VAL . 1.0 OUTLIER -29.25 -75.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.919 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.405 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 6.3 mtm180 -128.18 50.77 2.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.48 ' HB2' ' CG1' ' A' ' 36' ' ' VAL . 1.5 m -170.78 178.78 3.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 50.1 tp -147.42 112.54 5.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -107.49 145.69 32.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.414 ' CE1' ' HB2' ' A' ' 52' ' ' LEU . 53.1 p90 -129.59 155.15 46.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.529 ' N ' ' CD1' ' A' ' 43' ' ' TYR . 0.3 OUTLIER -139.79 156.46 46.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.891 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.5 mtpm? -47.31 -45.91 24.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -145.15 178.06 8.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -48.79 -37.89 20.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.854 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -39.01 -36.42 0.28 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.464 ' HA ' ' CG ' ' A' ' 43' ' ' TYR . 10.6 pt-20 34.41 46.73 0.18 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -75.83 -41.49 52.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.5 p -128.92 122.45 30.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.443 HG12 ' CE2' ' A' ' 43' ' ' TYR . 72.3 mt -67.09 131.51 32.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.181 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.414 ' HB2' ' CE1' ' A' ' 42' ' ' TYR . 70.2 mt -88.97 -44.15 10.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -160.22 151.62 22.26 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.511 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 59.4 p -116.51 137.21 52.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.864 0.364 . . . . 0.0 110.849 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.4 ' HA ' ' HD2' ' A' ' 56' ' ' PRO . 19.0 mt -114.29 108.53 50.02 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.605 0.717 . . . . 0.0 111.129 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.509 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 53.7 Cg_endo -69.74 96.79 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.715 2.277 . . . . 0.0 112.321 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.566 HD21 ' CD2' ' A' ' 60' ' ' PHE . 58.5 mt -84.76 50.72 1.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.2 tp -68.3 -60.69 2.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 73.3 m -132.32 42.78 3.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.812 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.566 ' CD2' HD21 ' A' ' 57' ' ' LEU . 3.5 m-85 -68.4 144.0 54.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.477 ' O ' ' C ' ' A' ' 62' ' ' VAL . 3.4 ptm85 -84.31 25.04 0.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.87 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.485 HG11 ' CG ' ' A' ' 104' ' ' MET . 24.0 t -31.46 113.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.178 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -176.24 153.15 1.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -39.79 137.48 0.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.124 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 25.9 m -55.43 152.41 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -80.23 161.4 65.35 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.608 0.718 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 -6.58 18.94 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.702 2.268 . . . . 0.0 112.352 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 57.6 m -129.69 41.22 3.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -107.52 14.89 25.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 58.79 34.13 23.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.445 HG22 ' N ' ' A' ' 72' ' ' SER . 35.0 mm -97.09 139.98 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.445 ' N ' HG22 ' A' ' 71' ' ' ILE . 5.6 m -115.71 -34.0 4.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 47.5 mtt85 -73.08 148.58 43.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 75' ' ' HIS . 23.5 mtpp -87.05 -179.65 6.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.907 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.567 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 2.2 m-70 38.1 42.87 0.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.847 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 57.0 m -109.19 139.49 44.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.508 ' N ' ' CD1' ' A' ' 77' ' ' PHE . 1.0 OUTLIER -126.97 159.59 33.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 29.4 pttt -122.46 142.77 50.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.944 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -131.87 110.68 10.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.115 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.451 ' CB ' ' HA ' ' A' ' 86' ' ' THR . 2.2 pt-20 -137.02 141.04 42.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.479 ' HB2' ' CE1' ' A' ' 60' ' ' PHE . 25.1 t-80 -74.03 178.31 5.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.461 ' H ' ' CG ' ' A' ' 81' ' ' HIS . . . -82.07 33.08 0.38 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.105 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 140.61 48.19 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.49 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.45 ' CG2' ' HB3' ' A' ' 81' ' ' HIS . 58.9 t -133.16 -73.11 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.808 0.337 . . . . 0.0 111.125 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.472 ' HG2' ' N ' ' A' ' 86' ' ' THR . 39.6 ttt180 -167.64 159.27 11.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.472 ' N ' ' HG2' ' A' ' 85' ' ' ARG . 4.4 m -104.54 139.29 39.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -127.44 145.36 50.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -122.73 121.38 36.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.846 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.4 m-85 -120.42 135.01 55.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.1 t -111.99 141.53 45.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.817 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -118.06 124.66 48.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.151 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -49.32 -41.11 37.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 65.3 m -114.74 153.6 46.86 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.705 0.764 . . . . 0.0 110.828 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.567 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 54.2 Cg_endo -69.72 -18.6 37.09 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.662 2.242 . . . . 0.0 112.362 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -74.37 -41.56 60.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -66.93 -41.72 86.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.422 ' CD ' ' HA ' ' A' ' 75' ' ' HIS . 14.2 tt0 -51.31 -58.68 5.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 31.4 mm-40 -61.08 -51.54 68.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.421 ' HB1' ' NZ ' ' A' ' 13' ' ' LYS . . . -46.57 -49.76 18.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.05 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.507 ' CE2' ' HE2' ' A' ' 13' ' ' LYS . 47.2 m95 -62.66 -56.85 13.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 61.2 mt -42.19 -32.46 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.133 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -90.01 -42.14 11.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.939 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.98 -64.55 0.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.485 ' CG ' HG11 ' A' ' 62' ' ' VAL . 11.4 ptp -75.32 -30.25 60.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -54.55 -53.35 39.24 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.433 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 4.2 pt-20 -49.02 -44.68 41.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.843 0.354 . . . . 0.0 110.886 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.433 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -54.38 -27.62 37.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.123 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -81.28 -40.54 23.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.074 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 13.1 mtp180 -55.64 159.52 2.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 84.1 t -138.2 112.38 8.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.074 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 4.3 pm0 -47.35 151.03 0.8 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 49.3 m 62.02 42.75 9.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -103.87 -75.21 1.04 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.548 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -2.51 10.3 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.718 2.279 . . . . 0.0 112.322 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.6 t -162.37 159.86 25.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 7.7 t -74.93 152.25 38.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.518 -179.981 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.6 m -93.32 -55.12 3.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.938 0.399 . . . . 0.0 110.879 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.3 p -99.07 -48.42 4.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.83 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.74 164.29 26.23 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.504 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.8 p -104.89 -44.66 4.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.875 0.369 . . . . 0.0 110.877 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.1 p -67.93 103.94 1.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.843 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.66 -101.98 1.9 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.468 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -110.17 153.62 24.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 0.0 110.836 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -119.42 155.78 53.73 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.574 0.702 . . . . 0.0 111.098 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 153.82 68.47 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.664 2.242 . . . . 0.0 112.358 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.7 p -70.62 145.56 12.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.145 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.8 m -96.09 -50.62 4.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 43.4 tttp -151.95 144.2 23.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -149.83 127.91 11.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.125 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.441 ' HA2' ' CZ3' ' A' ' 32' ' ' TRP . . . -167.52 162.51 36.3 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.453 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -73.64 110.63 8.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.839 0.352 . . . . 0.0 110.95 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.504 HD13 ' CE2' ' A' ' 100' ' ' TRP . 12.6 mt -117.78 160.74 20.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.501 ' CZ ' ' HD2' ' A' ' 30' ' ' LYS . 17.6 m-85 -105.81 114.36 28.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.1 tttm -91.63 115.45 28.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -48.15 154.12 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.29 156.08 18.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.056 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.4 m -114.19 -52.5 2.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.813 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.8 t -92.85 98.16 11.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 125.79 -161.19 20.26 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.513 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.466 ' CG1' ' HB3' ' A' ' 27' ' ' GLN . 1.4 p -56.42 167.99 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.896 0.379 . . . . 0.0 111.092 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.3 mtmt -80.27 42.98 0.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.466 ' HB3' ' CG1' ' A' ' 25' ' ' VAL . 28.8 pt20 -86.97 154.79 20.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 36.7 m95 -104.83 144.73 31.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -116.0 118.51 33.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.501 ' HD2' ' CZ ' ' A' ' 18' ' ' PHE . 63.8 tttt -65.19 142.09 58.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -164.78 145.37 7.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.441 ' CZ3' ' HA2' ' A' ' 15' ' ' GLY . 64.6 t-105 -71.09 117.96 13.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -109.42 137.97 46.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 44.4 t -137.46 107.5 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 5.7 tp -75.92 137.8 40.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.473 HG11 ' N ' ' A' ' 37' ' ' ASP . 1.1 p -116.39 -175.49 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.153 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.473 ' N ' HG11 ' A' ' 36' ' ' VAL . 4.3 m-20 -35.77 -73.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -129.01 53.63 1.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.6 t -175.22 177.92 1.8 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 29.2 tp -144.24 122.51 12.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.949 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -114.3 147.24 39.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 43.2 p90 -129.85 144.41 51.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.491 ' CE2' HG12 ' A' ' 51' ' ' ILE . 1.3 m-85 -131.69 156.71 45.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 34.2 mtpt -50.08 -36.9 31.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.5 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 2.0 p30 -152.41 -176.97 5.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -62.06 -35.2 77.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 26.5 mtpt -43.58 -39.11 3.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 57.75 48.11 14.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -57.19 -51.59 68.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 21.2 t -148.53 145.94 28.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.491 HG12 ' CE2' ' A' ' 43' ' ' TYR . 77.4 mt -77.1 126.4 37.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.123 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 44.2 mt -90.7 -47.82 7.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -150.56 153.15 24.86 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.461 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 74.1 p -127.53 128.16 45.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.802 0.334 . . . . 0.0 110.876 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 22.4 mt -98.07 117.81 64.51 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.593 0.711 . . . . 0.0 111.166 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 119.73 6.63 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.692 2.261 . . . . 0.0 112.308 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 83.3 mt -116.88 57.28 0.79 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.4 tp -77.46 -69.63 0.52 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 t -126.42 31.32 5.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.648 ' CE1' ' ND1' ' A' ' 81' ' ' HIS . 6.3 m-85 -66.14 177.18 1.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.929 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 80' ' ' GLU . 65.8 ttt180 -127.55 103.75 7.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 25.5 t -100.43 129.86 50.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -173.58 163.16 4.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.099 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -53.27 125.8 18.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.109 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 20.3 m -46.54 156.7 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.142 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.432 ' CD ' ' HD2' ' A' ' 67' ' ' PRO . 2.3 mm100 -83.29 161.67 56.43 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.626 0.727 . . . . 0.0 110.883 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.432 ' HD2' ' CD ' ' A' ' 66' ' ' GLN . 54.2 Cg_endo -69.72 -7.7 21.71 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.667 2.245 . . . . 0.0 112.386 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 74.2 m -130.86 50.82 2.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -121.5 21.47 10.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.845 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 57.6 m-20 54.81 35.83 25.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 50.7 mm -109.73 100.23 10.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.123 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 66.5 m -92.28 47.61 1.34 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.83 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 26.6 mtp180 -148.57 124.2 10.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.0 mttm -70.07 176.9 3.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.929 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.552 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 2.0 m-70 41.75 47.7 3.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.846 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.403 HG22 ' N ' ' A' ' 77' ' ' PHE . 21.0 m -124.28 142.35 51.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.169 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.512 ' N ' ' CD1' ' A' ' 77' ' ' PHE . 0.7 OUTLIER -130.31 159.14 37.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 36.9 pttt -126.07 150.09 48.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -115.44 103.3 10.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.491 ' OE1' ' N ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -107.93 140.07 41.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.648 ' ND1' ' CE1' ' A' ' 60' ' ' PHE . 9.3 t-160 -111.68 -4.88 14.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.491 ' N ' ' OE1' ' A' ' 80' ' ' GLU . . . 46.07 36.0 2.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.082 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -155.69 -29.37 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.49 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.493 HG23 ' N ' ' A' ' 85' ' ' ARG . 0.2 OUTLIER -126.13 -73.99 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.833 0.349 . . . . 0.0 111.173 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.493 ' N ' HG23 ' A' ' 84' ' ' VAL . 10.3 ptp180 -151.29 -175.93 5.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.469 HG22 ' CE1' ' A' ' 88' ' ' PHE . 95.5 m -135.75 123.07 21.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.491 ' CZ ' ' HD2' ' A' ' 85' ' ' ARG . 74.0 m-85 -94.43 171.72 8.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.469 ' CE1' HG22 ' A' ' 86' ' ' THR . 30.2 m-85 -147.33 136.44 22.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.834 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 24.5 m-85 -137.81 137.51 38.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.0 t -111.92 139.58 47.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.83 -179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -110.57 126.51 54.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.135 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -53.06 -40.41 63.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 69.2 m -117.24 153.6 49.95 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.659 0.742 . . . . 0.0 110.846 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.552 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 54.0 Cg_endo -69.76 -23.83 30.37 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.656 2.237 . . . . 0.0 112.367 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -67.91 -34.93 77.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 97' ' ' GLN . 4.1 mm-40 -77.34 -49.03 15.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 96' ' ' GLU . 13.9 tt0 -36.08 -53.31 0.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -68.78 -46.65 68.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -46.8 -47.17 21.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.103 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.504 ' CE2' HD13 ' A' ' 17' ' ' LEU . 69.2 m95 -68.61 -57.01 6.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 71.5 mt -41.04 -31.03 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.094 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -91.19 -39.28 12.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.87 -62.96 1.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.434 ' HG3' ' N ' ' A' ' 105' ' ' GLY . 6.6 ptp -72.01 -30.02 64.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.434 ' N ' ' HG3' ' A' ' 104' ' ' MET . . . -63.88 -51.41 53.77 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.487 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.416 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 6.0 pt-20 -51.55 -43.53 62.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.855 0.359 . . . . 0.0 110.898 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.416 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -53.81 -32.25 51.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.125 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -82.88 -37.5 24.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.079 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 28.9 mtt85 -52.13 148.39 6.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 10.9 p -85.89 124.21 40.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -50.19 95.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.96 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 96.4 p -102.86 79.97 1.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 82.49 86.57 0.76 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.545 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 124.58 11.2 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.665 2.243 . . . . 0.0 112.331 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.4 p -132.33 -47.66 0.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 59.4 p -164.02 110.11 1.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.845 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.468 -179.953 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 m -60.6 124.21 19.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.89 0.376 . . . . 0.0 110.905 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.7 p -139.33 153.76 47.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.83 72.3 0.76 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -149.66 175.77 11.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.903 0.382 . . . . 0.0 110.859 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.7 t -98.6 126.78 44.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.895 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.01 -114.79 3.54 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.502 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -79.96 120.23 23.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.874 0.368 . . . . 0.0 110.903 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -123.93 157.54 63.08 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.587 0.708 . . . . 0.0 111.106 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 155.68 65.34 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.66 2.24 . . . . 0.0 112.363 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.456 HG12 ' N ' ' A' ' 12' ' ' THR . 86.4 t -43.96 139.52 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.115 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.456 ' N ' HG12 ' A' ' 11' ' ' VAL . 96.7 m -87.66 -54.62 4.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.132 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' ' 35' ' ' LEU . 15.5 tttm -154.7 146.47 23.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -152.24 127.5 9.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.063 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.511 ' HA2' ' CZ3' ' A' ' 32' ' ' TRP . . . -162.42 165.93 36.32 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.446 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.483 ' CD1' ' CZ3' ' A' ' 32' ' ' TRP . 88.7 m95 -78.19 112.03 14.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.776 0.322 . . . . 0.0 110.93 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 31.8 mt -124.94 155.51 39.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.461 ' CE2' ' HB2' ' A' ' 30' ' ' LYS . 4.4 m-85 -101.14 131.54 47.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.3 tttm -107.37 119.72 40.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -60.37 111.82 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -44.94 142.29 1.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.055 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.0 p -92.4 -51.62 5.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.3 m -110.77 150.24 29.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.841 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.9 -159.2 25.46 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.527 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.3 p -58.49 156.26 2.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.893 0.378 . . . . 0.0 111.132 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -86.16 87.86 7.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -134.37 -179.06 5.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 77.9 m95 -121.77 129.92 53.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -105.85 122.75 46.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.487 ' O ' ' NE ' ' A' ' 31' ' ' ARG . 51.4 tttt -81.87 115.0 20.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.937 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.487 ' NE ' ' O ' ' A' ' 30' ' ' LYS . 7.1 mmp_? -128.69 -176.57 3.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.834 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.511 ' CZ3' ' HA2' ' A' ' 15' ' ' GLY . 72.2 t-105 -111.06 113.81 26.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -100.44 138.05 38.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 88.1 t -131.64 96.67 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.106 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 13' ' ' LYS . 21.5 tp -63.92 120.92 12.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.491 ' O ' ' C ' ' A' ' 37' ' ' ASP . 0.9 OUTLIER -92.75 -173.51 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.878 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.491 ' C ' ' O ' ' A' ' 36' ' ' VAL . 6.7 t70 -30.4 -63.33 0.14 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.6 mtm-85 -131.14 -31.56 1.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 61.6 m -85.73 175.51 8.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 39.8 tp -133.44 143.21 48.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -136.26 168.27 19.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.637 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 47.7 p90 -141.48 165.29 27.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.637 ' CD1' ' C ' ' A' ' 42' ' ' TYR . 0.3 OUTLIER -151.24 154.53 36.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.933 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.441 ' O ' ' CG ' ' A' ' 45' ' ' ASP . 4.3 tppt? -48.93 -40.2 29.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.95 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.441 ' CG ' ' O ' ' A' ' 44' ' ' LYS . 1.1 m-20 -163.78 178.22 8.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 47' ' ' LYS . 11.0 mm-40 -44.57 -33.39 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 46' ' ' GLU . 28.5 mtmm -35.38 -43.63 0.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 46.47 30.99 1.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -65.76 -20.43 66.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.5 t -170.17 150.05 3.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.546 HG12 ' CE2' ' A' ' 43' ' ' TYR . 85.4 mt -87.92 121.27 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.165 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.8 mp -77.24 -30.98 54.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.493 ' O ' ' CG2' ' A' ' 51' ' ' ILE . . . -159.05 178.28 35.28 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.6 t -136.49 146.59 46.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.82 0.343 . . . . 0.0 110.82 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.416 ' HA ' ' HD2' ' A' ' 56' ' ' PRO . 19.3 mt -136.48 105.07 9.22 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.634 0.73 . . . . 0.0 111.139 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.596 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 53.6 Cg_endo -69.77 123.77 10.42 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.619 2.212 . . . . 0.0 112.365 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.3 mt -104.08 51.99 0.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 25.8 tp -108.13 109.26 20.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.593 ' O ' ' CD2' ' A' ' 81' ' ' HIS . 3.3 t 73.46 25.0 2.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.596 ' CE1' ' O ' ' A' ' 56' ' ' PRO . 8.3 m-85 -86.38 142.19 28.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -98.43 91.1 5.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 13.8 t -94.86 123.76 47.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 64' ' ' ALA . . . -166.01 146.88 6.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 63' ' ' ALA . . . -35.75 131.38 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.115 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.5 m -54.42 162.96 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -101.55 159.75 28.53 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.587 0.708 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -10.38 28.44 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.705 2.27 . . . . 0.0 112.361 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 34.3 t -109.51 22.25 15.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -105.3 9.82 33.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 54.61 37.17 27.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 43.0 mm -99.89 96.79 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.127 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.8 m -81.82 56.5 3.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 19.6 mtp85 -159.4 141.06 13.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -87.62 174.57 8.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.568 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 3.3 m-70 42.13 53.52 4.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.413 HG22 ' N ' ' A' ' 77' ' ' PHE . 43.2 m -124.71 147.06 48.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.557 ' CE2' ' HB2' ' A' ' 89' ' ' PHE . 3.5 p90 -132.31 153.8 50.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.572 ' HB3' ' CD2' ' A' ' 88' ' ' PHE . 32.4 pttt -121.68 142.14 50.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -122.11 103.99 9.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.091 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.46 ' HB2' ' CG2' ' A' ' 86' ' ' THR . 1.4 tm-20 -127.1 148.8 50.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 59' ' ' SER . 12.2 t-160 -119.78 153.23 36.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.836 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.57 -5.77 12.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.076 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -138.0 -2.05 2.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.516 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.549 HG12 ' CZ ' ' A' ' 60' ' ' PHE . 0.3 OUTLIER -116.83 -170.55 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.873 0.368 . . . . 0.0 111.104 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.549 ' N ' ' CG1' ' A' ' 84' ' ' VAL . 0.4 OUTLIER -85.45 170.69 12.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.46 ' CG2' ' HB2' ' A' ' 80' ' ' GLU . 62.3 m -106.12 104.88 14.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.153 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.474 ' CE1' ' HB3' ' A' ' 85' ' ' ARG . 1.8 m-85 -95.02 163.66 13.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.949 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.572 ' CD2' ' HB3' ' A' ' 78' ' ' LYS . 82.3 m-85 -139.11 154.41 48.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.557 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 55.1 m-85 -153.06 123.88 7.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 11.4 t -103.95 138.23 40.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -108.68 132.48 53.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.104 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -62.7 -33.92 76.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 38.5 m -116.68 148.69 42.49 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.67 0.747 . . . . 0.0 110.887 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' PRO . . . . . 0.568 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 53.7 Cg_endo -69.78 -22.62 31.74 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.711 2.274 . . . . 0.0 112.312 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -73.52 -24.66 60.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -82.71 -50.11 9.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.403 ' CD ' ' HA ' ' A' ' 75' ' ' HIS . 18.8 tt0 -41.65 -63.43 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -55.75 -50.1 71.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -48.15 -42.24 28.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . 0.471 ' O ' ' N ' ' A' ' 102' ' ' GLN . 71.6 m95 -70.07 -61.52 1.75 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 98.5 mt -37.23 -29.57 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.111 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 100' ' ' TRP . 27.8 mt-30 -91.27 -48.71 6.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.69 -61.82 2.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.083 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.41 ' SD ' ' CE2' ' A' ' 77' ' ' PHE . 5.3 ptm -71.49 -32.18 67.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -61.06 -51.49 58.11 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.536 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.421 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 6.0 pt-20 -55.93 -43.57 77.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.846 0.355 . . . . 0.0 110.855 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.421 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -56.55 -31.72 64.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -79.63 -39.08 32.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.083 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -78.45 161.36 27.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 98.8 t -123.69 148.85 27.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -118.32 139.08 51.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 19.3 t -129.88 147.58 51.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -152.38 69.51 0.3 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.482 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -6.38 18.47 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.68 2.253 . . . . 0.0 112.313 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 24.2 m -96.35 41.15 1.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 89.8 p -69.63 134.37 48.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.821 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.468 179.986 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 54.6 t . . . . . 0 C--O 1.233 0.196 0 CA-C-O 120.881 0.372 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.0 m -92.9 -51.43 5.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.158 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 35' ' ' LEU . 45.7 tttp -155.0 142.32 19.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -149.15 126.85 11.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -169.18 166.29 39.58 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.52 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.524 ' CE3' ' HD3' ' A' ' 30' ' ' LYS . 98.8 m95 -74.27 124.72 26.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.818 0.342 . . . . 0.0 110.903 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.567 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 28.5 mt -136.87 143.74 43.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.513 ' CZ ' ' HB2' ' A' ' 30' ' ' LYS . 4.7 m-85 -95.25 128.35 42.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.827 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -111.52 118.73 36.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -39.42 145.22 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.871 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.797 0.332 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 67.0 m95 -127.27 123.16 35.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -113.01 142.23 45.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.524 ' HD3' ' CE3' ' A' ' 16' ' ' TRP . 0.6 OUTLIER -80.03 147.62 31.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.89 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -158.83 146.05 17.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.515 ' CD1' ' HA ' ' A' ' 46' ' ' GLU . 51.4 t-105 -78.83 121.1 24.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.567 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 72.8 m-85 -114.49 138.86 50.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 98.4 t -132.2 94.96 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.096 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 13' ' ' LYS . 33.3 tp -57.97 130.51 46.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.725 HG22 ' H ' ' A' ' 37' ' ' ASP . 0.9 OUTLIER -124.22 -175.07 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.132 179.866 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.725 ' H ' HG22 ' A' ' 36' ' ' VAL . 1.4 m-20 -60.47 116.49 4.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 46.1 mtt85 41.46 39.95 1.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.489 ' HB2' ' CG1' ' A' ' 36' ' ' VAL . 1.7 m -167.98 163.53 13.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.6 tp -140.43 117.41 11.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.949 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -106.39 168.33 9.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.523 ' CE1' ' HB2' ' A' ' 52' ' ' LEU . 13.0 p90 -155.62 149.75 25.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.564 ' CD1' ' N ' ' A' ' 43' ' ' TYR . 0.3 OUTLIER -132.98 166.79 21.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 -179.907 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.647 ' N ' HD11 ' A' ' 52' ' ' LEU . 23.4 tptt -54.48 -39.13 67.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.9 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.469 ' OD1' ' N ' ' A' ' 45' ' ' ASP . 13.9 p-10 -148.76 -179.9 7.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.515 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 2.8 pp20? -68.09 -13.96 62.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -56.11 -26.74 51.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 59.01 44.25 16.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.845 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -64.27 -69.17 0.3 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.0 m -142.42 136.06 29.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.433 HG12 ' CE2' ' A' ' 43' ' ' TYR . 94.1 mt -62.29 121.2 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.165 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.647 HD11 ' N ' ' A' ' 44' ' ' LYS . 6.1 mt -84.44 -51.11 7.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.425 ' CA ' ' CE2' ' A' ' 42' ' ' TYR . . . -147.39 155.19 26.39 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.487 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.9 t -121.25 154.9 35.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.819 0.343 . . . . 0.0 110.921 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 11.8 mt -132.6 117.66 15.42 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.589 0.709 . . . . 0.0 111.141 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 131.9 22.21 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.716 2.278 . . . . 0.0 112.358 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 61.5 mt -117.27 54.01 0.9 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 52.0 tp -109.73 115.8 30.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.0 m 60.93 25.37 15.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -80.0 164.18 23.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 58.7 ttm-85 -117.91 93.3 4.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.543 HG11 ' CG ' ' A' ' 104' ' ' MET . 22.1 t -98.29 127.92 50.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -173.74 164.58 4.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.69 138.08 8.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.097 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.488 HG12 ' HB3' ' A' ' 78' ' ' LYS . 5.3 m -58.38 172.52 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.16 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -115.9 159.09 40.5 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.632 0.73 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -10.81 29.47 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.703 2.269 . . . . 0.0 112.336 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.5 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.837 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.828 0.347 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.558 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 2.3 m-70 61.67 54.38 2.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.822 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.9 m -124.42 147.53 48.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.168 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.5 ' CD1' ' N ' ' A' ' 77' ' ' PHE . 1.1 p90 -137.9 159.27 42.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.532 ' HB3' ' CE1' ' A' ' 88' ' ' PHE . 30.6 pttt -125.56 146.17 49.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -132.0 110.82 11.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -136.66 151.23 49.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 13.9 t-160 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.847 0.356 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 37.0 m -114.77 101.71 9.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -89.05 155.6 19.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.532 ' CE1' ' HB3' ' A' ' 78' ' ' LYS . 57.1 m-85 -137.08 140.51 42.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.911 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.477 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . 31.6 m-85 -141.21 136.15 31.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 30.4 t -117.88 117.59 29.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -85.1 132.33 34.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.101 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -60.1 -26.87 66.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.0 m -126.75 153.24 75.81 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.678 0.752 . . . . 0.0 110.837 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.558 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 53.8 Cg_endo -69.79 -38.23 8.01 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.645 2.23 . . . . 0.0 112.304 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -62.04 -26.52 68.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 97' ' ' GLN . 17.3 mt-10 -79.95 -56.8 4.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 96' ' ' GLU . 13.2 tt0 -35.43 -61.81 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -52.26 -56.77 12.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -43.01 -47.72 5.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.031 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 0.48 ' CE2' HD11 ' A' ' 17' ' ' LEU . 67.0 m95 -63.57 -61.14 2.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.942 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 75.8 mt -38.72 -35.52 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.124 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -86.33 -42.88 13.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.45 -63.76 1.19 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.092 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.543 ' CG ' HG11 ' A' ' 62' ' ' VAL . 13.6 ptp -72.69 -18.6 61.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -75.38 -47.53 12.49 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.471 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.535 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 5.3 pt-20 -56.81 -50.0 73.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.837 0.351 . . . . 0.0 110.86 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.535 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -54.41 -25.52 25.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -88.18 -33.66 18.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.081 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 16.4 ptt85 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 -179.898 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 54.6 t . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.933 0.397 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.3 m -86.81 -53.3 5.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.13 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.407 ' HE3' ' NE1' ' A' ' 100' ' ' TRP . 48.2 tttp -152.6 147.72 26.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -151.07 132.75 14.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.09 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.411 ' HA2' ' CZ3' ' A' ' 32' ' ' TRP . . . -172.15 172.15 44.62 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.511 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -81.37 111.08 17.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.802 0.334 . . . . 0.0 110.915 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.57 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 22.4 mt -121.37 141.62 50.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.508 ' CE2' ' HB2' ' A' ' 30' ' ' LYS . 20.1 m-85 -88.74 116.27 26.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.5 tttm -92.4 123.33 35.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -66.05 141.39 58.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.086 179.894 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.801 0.334 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 27.7 m95 -124.66 142.77 51.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -117.96 104.02 10.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.508 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . 31.4 tttt -62.33 124.55 21.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.473 ' CD ' ' HA ' ' A' ' 44' ' ' LYS . 5.3 mmt85 -142.28 179.15 7.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.411 ' CZ3' ' HA2' ' A' ' 15' ' ' GLY . 74.5 t-105 -99.45 113.9 26.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.57 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 32.2 m-85 -100.44 139.83 35.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 61.6 t -133.2 96.49 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 30.9 tp -59.94 115.77 3.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.716 HG22 ' H ' ' A' ' 37' ' ' ASP . 1.4 p -106.43 -179.65 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.716 ' H ' HG22 ' A' ' 36' ' ' VAL . 2.1 m-20 -57.09 116.96 3.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.3 mtm180 42.43 37.09 0.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.564 ' C ' HG12 ' A' ' 36' ' ' VAL . 1.8 m -168.53 173.59 7.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.4 tp -150.37 130.73 13.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.962 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.45 ' CE1' ' HB2' ' A' ' 54' ' ' SER . 97.8 m-85 -125.49 148.47 48.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.653 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 55.5 p90 -121.48 167.29 13.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.653 ' CD1' ' C ' ' A' ' 42' ' ' TYR . 0.2 OUTLIER -156.18 174.75 14.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.927 -179.912 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.473 ' HA ' ' CD ' ' A' ' 31' ' ' ARG . 45.5 mttt -57.63 -49.0 77.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -150.36 -175.12 4.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 47' ' ' LYS . 7.4 pt-20 -54.19 -44.49 71.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 46' ' ' GLU . 21.6 mmmt -34.62 -38.52 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 59.29 49.55 8.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -53.69 -60.51 3.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.836 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 77.6 p -148.28 149.16 31.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.6 mt -70.01 138.44 22.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.116 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.59 ' HB2' ' CE2' ' A' ' 42' ' ' TYR . 55.1 mt -106.31 -32.5 8.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.513 ' HA3' ' CE1' ' A' ' 42' ' ' TYR . . . -157.76 153.48 24.68 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.491 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.45 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 16.2 p -112.46 135.62 52.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.836 0.35 . . . . 0.0 110.83 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.407 ' HA ' ' HD2' ' A' ' 56' ' ' PRO . 57.2 mt -124.13 105.1 31.8 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.594 0.711 . . . . 0.0 111.133 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 55' ' ' ILE . 53.4 Cg_endo -69.79 139.53 40.35 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.704 2.269 . . . . 0.0 112.338 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 19.8 mt -127.93 45.54 2.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.3 tp -65.81 -63.9 0.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.5 t -129.7 25.92 5.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -66.53 113.9 5.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -71.94 99.55 2.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.57 HG11 ' SD ' ' A' ' 104' ' ' MET . 41.1 t -94.34 127.24 46.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -170.6 156.51 5.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.139 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -42.57 142.64 0.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.099 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.5 m -59.1 176.0 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.105 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -107.37 157.0 36.71 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.587 0.708 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -8.18 22.95 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.699 2.266 . . . . 0.0 112.384 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 72.3 m . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.822 -179.806 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.8 0.333 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.521 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 4.2 m-70 46.92 51.16 13.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.839 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 11.3 m -115.01 152.66 32.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.174 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.555 ' CD1' ' N ' ' A' ' 77' ' ' PHE . 0.5 OUTLIER -136.94 159.92 40.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 44.6 pttt -123.97 150.16 45.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -123.36 106.97 11.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -105.61 152.85 22.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.889 0.376 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.2 m -114.04 107.93 16.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.411 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 30.5 m-85 -89.95 171.52 9.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.411 ' CD1' ' O ' ' A' ' 87' ' ' TYR . 40.9 m-85 -148.06 125.89 11.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.87 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.513 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 51.2 m-85 -128.05 123.36 34.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.9 t -107.0 135.26 48.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.818 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -104.37 134.12 48.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.095 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -52.95 -44.51 67.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.3 m -112.81 159.13 35.58 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.662 0.744 . . . . 0.0 110.856 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.521 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 53.9 Cg_endo -69.79 -38.24 8.01 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.665 2.243 . . . . 0.0 112.335 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -59.33 -25.9 64.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -79.54 -55.5 4.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -40.84 -62.74 0.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.952 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -50.79 -56.11 13.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -45.56 -48.83 14.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 0.407 ' NE1' ' HE3' ' A' ' 13' ' ' LYS . 53.0 m95 -61.89 -57.52 11.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 85.2 mt -39.83 -37.25 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -83.27 -61.19 1.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.906 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -42.44 -63.25 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.101 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.57 ' SD ' HG11 ' A' ' 62' ' ' VAL . 2.9 ptp -73.65 -19.09 60.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -66.79 -52.13 35.92 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.469 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.496 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 7.7 pt-20 -55.16 -49.39 71.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.837 0.351 . . . . 0.0 110.876 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.496 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -46.37 -32.15 3.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -80.43 -35.4 35.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.091 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 71.0 mtt180 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.893 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 78.7 t . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.915 0.388 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 44.8 m -75.06 -59.69 2.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.122 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -148.56 156.14 42.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.517 ' HB1' HG22 ' A' ' 34' ' ' VAL . . . -158.37 130.92 7.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.406 ' HA2' ' CH2' ' A' ' 32' ' ' TRP . . . -168.59 163.71 37.41 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.44 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.571 ' CE3' ' HE2' ' A' ' 30' ' ' LYS . 90.4 m95 -74.38 119.65 18.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.807 0.337 . . . . 0.0 110.9 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.481 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 42.9 mt -130.47 160.79 33.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -108.8 114.62 28.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.6 tttm -88.79 125.12 34.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -70.37 120.01 15.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.072 179.906 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.767 0.317 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 58.6 m95 -124.75 130.23 52.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -122.36 142.88 50.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.571 ' HE2' ' CE3' ' A' ' 16' ' ' TRP . 37.8 tttt -84.57 142.72 29.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.3 tpp180 -161.07 152.05 18.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.408 ' CZ3' ' CD1' ' A' ' 16' ' ' TRP . 39.4 t-105 -78.65 122.69 26.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.972 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.481 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 34.5 m-85 -114.25 141.81 47.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.517 HG22 ' HB1' ' A' ' 14' ' ' ALA . 84.0 t -140.0 106.43 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 34.7 tp -67.09 114.92 6.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.691 HG22 ' H ' ' A' ' 37' ' ' ASP . 0.6 OUTLIER -104.84 -174.02 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.845 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.691 ' H ' HG22 ' A' ' 36' ' ' VAL . 4.7 m-20 -53.75 118.18 3.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 37' ' ' ASP . 28.7 mtm-85 34.28 41.32 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.514 ' HB3' HG12 ' A' ' 36' ' ' VAL . 1.6 t -171.77 163.95 6.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 48.1 tp -134.64 139.05 45.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.409 ' CE1' ' HB2' ' A' ' 54' ' ' SER . 67.3 m-85 -128.43 152.46 48.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.889 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.584 ' CE1' ' HB2' ' A' ' 52' ' ' LEU . 46.5 p90 -129.96 144.31 51.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.513 ' CD1' ' N ' ' A' ' 43' ' ' TYR . 0.4 OUTLIER -133.3 155.18 49.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 -179.911 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.848 ' HG2' HD11 ' A' ' 52' ' ' LEU . 22.2 mttp -39.43 -48.77 2.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.414 ' HA ' ' CH2' ' A' ' 16' ' ' TRP . 17.3 p-10 -158.75 -178.92 7.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.857 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 47' ' ' LYS . 20.8 mt-10 -44.32 -45.7 8.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 46' ' ' GLU . 30.3 mtpt -35.56 -36.03 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.406 ' HG2' ' CD2' ' A' ' 43' ' ' TYR . 8.8 tt0 53.8 47.88 22.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -52.66 -59.96 3.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.0 t -151.48 151.44 31.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 95.7 mt -66.9 124.46 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.086 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.848 HD11 ' HG2' ' A' ' 44' ' ' LYS . 76.9 mt -89.33 -35.1 16.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.544 ' HA3' ' CE2' ' A' ' 42' ' ' TYR . . . -158.2 160.09 30.58 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.472 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.409 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 5.7 p -119.3 133.88 55.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.81 0.338 . . . . 0.0 110.839 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 52.3 mt -120.24 105.06 42.58 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.642 0.734 . . . . 0.0 111.114 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.598 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 53.6 Cg_endo -69.79 116.41 4.55 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.679 2.253 . . . . 0.0 112.339 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.417 ' CD1' ' HB2' ' A' ' 104' ' ' MET . 16.1 mt -106.03 40.46 1.58 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 13.4 tp -83.13 105.04 13.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 t 62.66 31.21 16.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.637 ' N ' ' HB1' ' A' ' 108' ' ' ALA . 5.4 m-85 -80.68 138.85 36.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.862 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -86.22 97.39 10.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.599 HG11 ' SD ' ' A' ' 104' ' ' MET . 15.3 t -101.95 131.4 50.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.121 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -171.64 165.49 6.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.075 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.03 130.87 48.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.839 HG22 ' O ' ' A' ' 76' ' ' THR . 11.2 m -53.74 174.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -119.78 160.45 42.44 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.57 0.7 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -16.51 37.79 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.707 2.272 . . . . 0.0 112.334 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.6 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.849 -179.804 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.2 mtpt . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.796 0.331 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.517 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 2.2 m-70 43.35 51.05 6.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.857 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.89 HG23 ' O ' ' A' ' 89' ' ' PHE . 87.1 m -121.15 137.96 54.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.468 ' CZ ' ' HB2' ' A' ' 89' ' ' PHE . 7.3 p90 -121.74 165.62 15.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.577 ' HB3' ' CD1' ' A' ' 88' ' ' PHE . 5.1 pttm -129.35 152.73 48.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -140.26 106.62 5.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -130.11 147.96 51.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.816 -179.983 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.847 0.356 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.479 HG22 ' CE2' ' A' ' 88' ' ' PHE . 47.8 m -108.94 125.29 51.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.192 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -106.78 161.11 14.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.577 ' CD1' ' HB3' ' A' ' 78' ' ' LYS . 86.3 m-85 -144.04 133.59 23.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.882 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.89 ' O ' HG23 ' A' ' 76' ' ' THR . 58.8 m-85 -133.37 141.08 47.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 28.1 t -118.54 123.68 45.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -92.71 144.49 25.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.113 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -70.59 -25.63 63.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.1 t -130.05 150.13 75.14 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.609 0.719 . . . . 0.0 110.909 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.517 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 54.3 Cg_endo -69.77 -10.1 27.74 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.638 2.225 . . . . 0.0 112.384 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -85.72 -25.41 26.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -83.23 -46.18 12.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -43.41 -62.72 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -53.26 -56.99 12.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -44.74 -46.96 10.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.098 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 0.433 ' CE2' HD11 ' A' ' 17' ' ' LEU . 61.5 m95 -62.18 -55.52 27.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 94.2 mt -45.44 -34.3 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.084 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -86.71 -39.02 16.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.17 -60.33 3.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.052 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.599 ' SD ' HG11 ' A' ' 62' ' ' VAL . 8.9 ptp -74.26 -28.52 61.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.891 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -59.8 -48.98 83.4 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.525 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.497 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 8.3 pt-20 -59.17 -47.84 83.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.903 0.382 . . . . 0.0 110.915 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.497 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -45.23 -32.85 2.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.063 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.637 ' HB1' ' N ' ' A' ' 60' ' ' PHE . . . -74.7 -43.35 55.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.116 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 15.7 mtp85 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 -179.898 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 94.2 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.964 0.412 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.0 m -87.5 -55.7 3.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.435 ' HE3' ' CE2' ' A' ' 100' ' ' TRP . 61.4 tttp -151.97 150.36 29.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.422 ' HB1' HG22 ' A' ' 34' ' ' VAL . . . -152.55 131.65 12.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.138 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -172.75 164.86 37.11 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.481 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.486 ' CE3' ' HE3' ' A' ' 30' ' ' LYS . 91.6 m95 -72.99 113.25 9.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.802 0.334 . . . . 0.0 110.93 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.842 HD11 ' CE2' ' A' ' 100' ' ' TRP . 28.5 mt -126.63 137.42 53.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -86.09 122.34 29.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.9 tttm -94.92 117.98 31.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -38.57 152.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.538 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.538 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 9.1 pt20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.787 0.327 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.443 ' CZ3' ' HB2' ' A' ' 90' ' ' SER . 31.2 m95 -116.56 134.25 55.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -106.21 140.04 39.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.486 ' HE3' ' CE3' ' A' ' 16' ' ' TRP . 26.2 tttp -83.6 132.14 34.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.951 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.1 tpp85 -150.67 143.29 24.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 49.4 t-105 -69.26 122.75 19.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.484 ' CD2' ' HB2' ' A' ' 17' ' ' LEU . 26.2 m-85 -115.89 141.28 48.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.895 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.422 HG22 ' HB1' ' A' ' 14' ' ' ALA . 98.7 t -140.46 105.79 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.135 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.495 HD12 ' O ' ' A' ' 39' ' ' CYS . 28.9 tp -68.3 126.11 28.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.732 HG22 ' H ' ' A' ' 37' ' ' ASP . 1.4 p -121.5 -178.61 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.732 ' H ' HG22 ' A' ' 36' ' ' VAL . 4.3 m-20 -52.46 115.23 1.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 19.7 mtm180 39.81 38.63 0.47 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.495 ' O ' HD12 ' A' ' 35' ' ' LEU . 1.8 m -165.17 173.83 10.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 29.9 tp -151.73 111.83 4.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.525 ' CE1' ' HB2' ' A' ' 54' ' ' SER . 83.4 m-85 -97.99 154.44 17.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 35.7 p90 -140.86 144.78 35.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.536 ' CE2' HG12 ' A' ' 51' ' ' ILE . 0.6 OUTLIER -130.66 161.06 32.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.913 -179.86 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.2 ttmt -52.82 -40.85 63.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.458 ' OD2' ' CG ' ' A' ' 47' ' ' LYS . 11.7 p-10 -156.05 -177.84 6.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -52.67 -39.55 61.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.46 ' CB ' ' OE2' ' A' ' 49' ' ' GLU . 6.6 mmmm -42.98 -28.11 0.24 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 47' ' ' LYS . 14.4 pt-20 34.89 47.59 0.27 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.46 ' OE2' ' CB ' ' A' ' 47' ' ' LYS . 41.5 mp0 -55.97 -51.65 66.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 53.2 p -148.42 138.06 22.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.536 HG12 ' CE2' ' A' ' 43' ' ' TYR . 80.9 mt -65.95 128.86 29.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.125 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.6 mt -93.23 -41.51 9.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -155.21 155.46 26.26 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.44 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.525 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 11.9 t -123.34 156.4 35.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.809 0.338 . . . . 0.0 110.859 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 25.9 mt -127.74 105.14 20.89 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.662 0.744 . . . . 0.0 111.119 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 107.44 1.85 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.698 2.265 . . . . 0.0 112.349 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 94.7 mt -100.06 57.05 0.96 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.2 tp -62.65 -68.72 0.31 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 56.0 p -131.72 32.11 4.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.836 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.589 ' CE2' ' HB2' ' A' ' 81' ' ' HIS . 8.5 m-85 -65.96 158.52 27.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -111.3 99.25 8.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.57 HG11 ' SD ' ' A' ' 104' ' ' MET . 17.2 t -94.24 127.86 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.15 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -169.2 174.41 6.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.069 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.16 133.93 56.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.557 HG12 ' HB3' ' A' ' 78' ' ' LYS . 17.4 m -61.31 161.87 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -99.96 156.91 34.77 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.639 0.733 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -0.03 6.33 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.671 2.247 . . . . 0.0 112.374 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 65.3 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.834 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 30.1 mttp . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.796 0.332 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.558 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 3.9 m-70 56.5 42.64 27.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.812 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.493 HG23 ' O ' ' A' ' 89' ' ' PHE . 16.7 m -120.36 140.27 51.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.549 ' CE2' ' HB2' ' A' ' 89' ' ' PHE . 1.5 p90 -128.49 158.21 39.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.582 ' HB3' ' CD2' ' A' ' 88' ' ' PHE . 26.6 pttt -130.4 145.61 51.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -113.4 102.69 10.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -101.37 127.35 48.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.901 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.589 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . 72.3 t60 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.8 ttt180 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.886 0.374 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 95.2 m -134.7 101.62 5.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.136 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -80.92 166.38 20.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.582 ' CD2' ' HB3' ' A' ' 78' ' ' LYS . 53.6 m-85 -138.03 151.71 48.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.549 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 33.7 m-85 -146.55 139.15 25.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.443 ' HB2' ' CZ3' ' A' ' 28' ' ' TRP . 26.8 t -122.54 118.44 28.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -90.09 140.37 29.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.102 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -64.64 -39.43 93.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.3 m -114.76 156.21 45.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.654 0.74 . . . . 0.0 110.911 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.558 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 54.2 Cg_endo -69.75 -30.39 22.39 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.733 2.289 . . . . 0.0 112.34 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -66.47 -35.97 81.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -72.85 -48.35 38.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -41.66 -65.17 0.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -53.26 -51.32 62.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -46.95 -45.73 21.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 0.842 ' CE2' HD11 ' A' ' 17' ' ' LEU . 57.3 m95 -67.16 -55.73 12.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 69.6 mt -41.67 -34.75 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -86.57 -51.68 6.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -48.91 -67.01 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.57 ' SD ' HG11 ' A' ' 62' ' ' VAL . 5.0 ptp -69.3 -25.42 64.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -62.26 -41.09 99.73 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.453 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -65.43 -41.97 92.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 110.853 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -52.85 -25.59 12.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.111 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -82.61 -24.82 33.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.052 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.2 ptt-85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.848 -179.874 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 96.4 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.87 0.367 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.0 m -88.55 -52.14 5.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.18 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.453 ' HD3' ' CB ' ' A' ' 103' ' ' ALA . 27.4 tttp -150.45 156.02 40.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -157.25 138.14 13.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.146 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.537 ' HA2' ' CZ3' ' A' ' 32' ' ' TRP . . . -178.69 161.29 27.67 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.518 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.475 ' CD1' ' CZ3' ' A' ' 32' ' ' TRP . 91.2 m95 -73.01 111.94 8.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.773 0.32 . . . . 0.0 110.913 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.509 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 18.7 mt -119.74 145.72 46.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.888 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -89.22 117.43 28.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -94.63 116.27 28.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.942 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -50.68 149.09 3.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 179.892 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.769 0.318 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 56.0 m95 -128.83 130.02 46.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 54.3 m-80 -109.42 112.57 24.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -55.95 130.52 44.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.475 ' NE ' ' HA ' ' A' ' 44' ' ' LYS . 2.2 tpm_? -147.94 148.22 30.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.845 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.547 ' CE2' ' OE1' ' A' ' 46' ' ' GLU . 68.8 t-105 -79.16 122.22 26.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.509 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 30.8 m-85 -113.0 140.29 47.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 53.8 t -132.82 110.52 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.156 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.409 HD12 ' O ' ' A' ' 39' ' ' CYS . 47.4 tp -72.11 121.77 19.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.737 HG22 ' H ' ' A' ' 37' ' ' ASP . 1.1 p -116.6 -176.42 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.108 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.737 ' H ' HG22 ' A' ' 36' ' ' VAL . 21.0 p-10 -50.73 117.49 2.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.471 ' HA ' ' HB1' ' A' ' 107' ' ' ALA . 76.1 mtt180 34.62 32.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.503 ' HB2' ' CG1' ' A' ' 36' ' ' VAL . 1.7 m -154.54 168.02 28.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.1 tp -144.49 123.53 12.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -110.27 169.95 8.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.555 ' CE1' ' HB2' ' A' ' 52' ' ' LEU . 20.4 p90 -151.34 142.33 23.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.974 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.511 ' CD2' ' HA ' ' A' ' 48' ' ' GLU . 0.8 OUTLIER -133.02 164.23 27.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.927 -179.902 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.747 ' HG2' HD11 ' A' ' 52' ' ' LEU . 34.8 mmtt -58.54 -40.84 84.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.92 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 46' ' ' GLU . 13.9 t70 -155.99 172.39 18.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.547 ' OE1' ' CE2' ' A' ' 32' ' ' TRP . 6.4 mm-40 -36.38 -41.81 0.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 46' ' ' GLU . 65.3 mttt -35.57 -46.44 0.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.511 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 5.5 pt-20 43.07 26.53 0.08 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -49.75 -62.24 1.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 60.4 p -120.44 129.37 53.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.855 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.451 HG12 ' CE2' ' A' ' 43' ' ' TYR . 68.5 mt -66.62 141.43 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.078 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.747 HD11 ' HG2' ' A' ' 44' ' ' LYS . 14.9 mt -99.86 -38.92 8.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.938 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -156.2 156.32 27.0 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.503 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 61.4 p -122.61 129.31 51.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.879 0.371 . . . . 0.0 110.821 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.617 HG23 ' CZ ' ' A' ' 87' ' ' TYR . 30.8 mt -110.38 119.04 47.84 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.641 0.734 . . . . 0.0 111.137 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 136.66 33.6 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.657 2.238 . . . . 0.0 112.386 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 18.7 mt -124.86 40.44 3.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 55.8 tp -90.53 116.64 28.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.957 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 41.6 m 52.45 41.01 30.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.653 ' H ' ' HB1' ' A' ' 108' ' ' ALA . 9.0 m-85 -89.31 158.23 17.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 27.8 ttt180 -109.89 95.22 5.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.863 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 48.2 t -97.08 128.32 48.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -173.02 155.16 2.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.102 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -41.7 133.75 2.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.08 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.426 HG13 ' CA ' ' A' ' 77' ' ' PHE . 19.6 m -52.52 176.34 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.159 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -116.65 159.32 40.86 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.624 0.726 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -0.43 6.93 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.678 2.252 . . . . 0.0 112.326 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 39.3 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 -179.894 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.457 ' HE2' ' CE1' ' A' ' 75' ' ' HIS . 1.3 mmmm . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.783 0.325 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.548 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 2.3 m-70 68.64 45.47 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.427 HG23 ' O ' ' A' ' 89' ' ' PHE . 17.7 m -119.51 147.0 44.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.442 ' CZ ' ' HB2' ' A' ' 89' ' ' PHE . 3.1 p90 -132.3 161.52 33.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 42.6 pttt -122.98 146.56 47.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -124.23 104.82 9.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.076 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -114.48 135.45 54.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.582 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . 7.4 t-160 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.92 0.391 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.6 m -114.36 104.81 12.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.1 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.617 ' CZ ' HG23 ' A' ' 55' ' ' ILE . 86.5 m-85 -94.02 136.4 34.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -112.86 135.15 53.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 87' ' ' TYR . 40.7 m-85 -139.06 123.52 18.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 48.5 t -105.2 122.22 45.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -92.82 133.3 36.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.101 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -54.13 -44.13 71.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 66.1 m -109.38 150.9 41.74 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.691 0.758 . . . . 0.0 110.814 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.548 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 54.2 Cg_endo -69.72 -25.97 28.23 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.642 2.228 . . . . 0.0 112.391 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -69.51 -31.27 69.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -76.35 -48.24 20.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -44.12 -57.7 3.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -58.16 -52.35 65.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -47.43 -49.04 26.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 0.407 ' O ' ' C ' ' A' ' 101' ' ' ILE . 63.1 m95 -58.79 -59.93 4.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 100' ' ' TRP . 96.2 mt -36.95 -35.59 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -86.83 -49.01 7.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.453 ' CB ' ' HD3' ' A' ' 13' ' ' LYS . . . -54.26 -56.5 17.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.089 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 10.0 ptp -78.56 -25.08 45.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -67.96 -42.21 85.95 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.498 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.409 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 6.2 pt-20 -59.37 -43.02 92.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.878 0.37 . . . . 0.0 110.842 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.471 ' HB1' ' HA ' ' A' ' 38' ' ' ARG . . . -60.36 -29.54 68.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.075 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.653 ' HB1' ' H ' ' A' ' 60' ' ' PHE . . . -82.82 -38.37 23.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.075 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 76.0 t . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.91 0.386 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.6 m -82.49 -47.49 12.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.119 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.454 ' HD3' ' CD2' ' A' ' 100' ' ' TRP . 36.3 tttp -156.95 153.45 28.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -156.85 131.3 8.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -175.13 161.53 30.85 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.509 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.489 ' CD2' ' HE2' ' A' ' 30' ' ' LYS . 94.6 m95 -74.71 114.06 12.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.826 0.346 . . . . 0.0 110.913 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.441 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 22.9 mt -122.72 144.03 49.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -92.7 126.34 37.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.2 tttm -105.0 133.3 50.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -64.35 140.74 58.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.948 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.106 179.923 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.785 0.326 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 43.6 m95 -128.4 133.41 48.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -115.21 130.12 56.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.489 ' HE2' ' CD2' ' A' ' 16' ' ' TRP . 43.6 tttt -71.07 139.9 50.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.7 tpp85 -156.97 143.56 18.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 75.3 t-105 -74.81 118.44 17.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.949 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.441 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 38.6 m-85 -112.71 136.79 51.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.425 ' C ' HD12 ' A' ' 40' ' ' LEU . 89.7 t -134.96 100.49 2.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.442 HD12 ' O ' ' A' ' 39' ' ' CYS . 14.6 tp -63.49 125.27 23.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.959 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.69 HG22 ' H ' ' A' ' 37' ' ' ASP . 0.5 OUTLIER -114.31 -173.54 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.101 179.906 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.69 ' H ' HG22 ' A' ' 36' ' ' VAL . 2.2 t70 -56.9 124.45 18.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.465 ' C ' ' O ' ' A' ' 37' ' ' ASP . 18.2 mtt180 32.64 36.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.501 ' HB3' ' CG1' ' A' ' 36' ' ' VAL . 1.6 t -170.49 172.07 6.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.425 HD12 ' C ' ' A' ' 34' ' ' VAL . 7.3 tp -146.38 142.98 28.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -129.63 150.29 51.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.585 ' CE1' ' HB2' ' A' ' 52' ' ' LEU . 46.3 p90 -131.07 145.72 52.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.926 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.52 ' CG ' ' HA ' ' A' ' 48' ' ' GLU . 2.0 m-85 -130.2 157.91 41.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.6 tptm -50.18 -39.98 45.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -154.78 -177.09 6.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.909 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 48' ' ' GLU . 2.8 pp20? -49.13 -41.25 35.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.904 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.486 ' O ' ' C ' ' A' ' 48' ' ' GLU . 45.5 mttp -36.86 -30.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.52 ' HA ' ' CG ' ' A' ' 43' ' ' TYR . 6.6 pt-20 31.05 46.53 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -80.55 -53.88 6.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 89.3 p -117.75 131.77 56.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.485 HG12 ' CE2' ' A' ' 43' ' ' TYR . 55.1 mt -80.26 132.68 31.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.129 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.585 ' HB2' ' CE1' ' A' ' 42' ' ' TYR . 9.7 mt -92.27 -46.86 7.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.926 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.418 ' HA3' ' CE2' ' A' ' 42' ' ' TYR . . . -148.23 154.36 25.83 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.463 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 59.9 p -121.11 134.85 55.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.89 0.376 . . . . 0.0 110.847 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.419 ' HA ' ' HD2' ' A' ' 56' ' ' PRO . 22.2 mt -113.61 104.95 55.26 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.675 0.75 . . . . 0.0 111.152 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.588 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 54.3 Cg_endo -69.69 101.79 0.94 Allowed 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.705 2.27 . . . . 0.0 112.383 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.438 HD13 ' HB2' ' A' ' 104' ' ' MET . 60.1 mt -91.71 46.04 1.26 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.4 tp -69.07 -61.19 1.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 t -130.92 42.69 3.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.588 ' CE1' ' O ' ' A' ' 56' ' ' PRO . 5.8 m-85 -80.34 170.34 16.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 52.8 ttt180 -121.09 96.38 5.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.758 HG21 ' HG3' ' A' ' 104' ' ' MET . 40.1 t -99.96 128.96 51.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 64' ' ' ALA . . . -173.99 142.75 0.88 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 63' ' ' ALA . . . -35.31 132.05 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.09 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 76' ' ' THR . 22.7 m -54.02 -177.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.098 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -130.6 160.58 65.53 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.633 0.73 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -3.59 12.27 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.708 2.272 . . . . 0.0 112.32 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.875 -179.82 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.783 0.325 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.498 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 2.0 m-70 57.21 45.22 20.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.841 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.486 ' O ' HG22 ' A' ' 65' ' ' VAL . 30.9 m -121.46 140.17 52.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.58 ' CE2' ' HB2' ' A' ' 89' ' ' PHE . 3.1 p90 -128.55 160.89 30.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.861 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.9 pttp -119.02 146.51 44.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -134.17 103.73 5.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.083 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.669 ' HB3' HG23 ' A' ' 86' ' ' THR . 16.3 pt-20 -125.47 150.51 47.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 1.4 t60 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.958 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.871 0.367 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.669 HG23 ' HB3' ' A' ' 80' ' ' GLU . 8.5 m -110.0 108.94 19.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -91.49 169.75 10.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -149.1 119.88 7.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.84 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.58 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 54.8 m-85 -120.97 128.52 52.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 45.5 t -106.75 138.35 43.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.816 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -109.43 135.94 49.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.121 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -59.88 -44.79 94.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.9 p -108.22 151.68 41.53 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.639 0.733 . . . . 0.0 110.86 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.498 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 54.3 Cg_endo -69.76 -21.34 33.64 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.7 2.267 . . . . 0.0 112.363 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -73.61 -35.7 65.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -71.71 -49.23 41.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -40.81 -60.92 1.05 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -57.24 -51.73 68.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -44.51 -51.42 8.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.09 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 0.454 ' CD2' ' HD3' ' A' ' 13' ' ' LYS . 75.1 m95 -61.84 -59.74 4.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 100' ' ' TRP . 96.9 mt -36.73 -38.29 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.13 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -85.45 -47.45 9.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.944 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.4 -60.3 3.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.102 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.758 ' HG3' HG21 ' A' ' 62' ' ' VAL . 6.7 ptm -73.64 -33.73 64.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -60.71 -53.0 48.96 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.472 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.473 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 6.0 pt-20 -48.64 -46.57 40.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.875 0.369 . . . . 0.0 110.909 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.473 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -53.21 -33.52 53.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.147 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.494 ' HB1' ' O ' ' A' ' 60' ' ' PHE . . . -72.57 -37.65 68.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 31.5 mtp180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.887 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 82.2 t . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.895 0.379 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.4 m -89.07 -50.96 5.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.094 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -153.23 149.1 27.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.406 ' HB2' HG13 ' A' ' 34' ' ' VAL . . . -148.28 129.22 14.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.086 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.51 ' HA2' ' CZ3' ' A' ' 32' ' ' TRP . . . -170.42 162.17 35.28 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.471 ' CD1' ' CZ3' ' A' ' 32' ' ' TRP . 91.6 m95 -75.5 117.65 17.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.824 0.345 . . . . 0.0 110.975 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.568 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 16.4 mt -124.28 127.76 48.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.949 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.575 ' CE1' ' HD2' ' A' ' 30' ' ' LYS . 10.7 m-85 -73.36 118.85 16.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 48.0 tttt -93.96 107.37 19.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -39.92 153.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.093 179.908 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.758 0.313 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 55.4 m95 -128.55 126.05 39.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.94 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -109.36 126.51 53.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.575 ' HD2' ' CE1' ' A' ' 18' ' ' PHE . 18.9 tttt -71.63 131.71 43.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.477 ' NE ' ' HA ' ' A' ' 44' ' ' LYS . 1.6 tpm_? -144.61 159.96 41.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.51 ' CZ3' ' HA2' ' A' ' 15' ' ' GLY . 56.4 t-105 -89.17 109.58 20.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.568 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 30.9 m-85 -103.84 128.59 51.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.406 HG13 ' HB2' ' A' ' 14' ' ' ALA . 67.5 t -127.56 103.28 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.155 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.795 HD12 ' O ' ' A' ' 39' ' ' CYS . 15.3 tp -71.65 119.76 16.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.737 HG22 ' H ' ' A' ' 37' ' ' ASP . 0.9 OUTLIER -86.87 -174.17 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.829 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.737 ' H ' HG22 ' A' ' 36' ' ' VAL . 1.8 p30 -30.68 -59.6 0.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.851 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.489 ' N ' ' OD1' ' A' ' 37' ' ' ASP . 3.1 mtt85 -131.21 -32.21 1.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.795 ' O ' HD12 ' A' ' 35' ' ' LEU . 63.0 m -82.47 179.69 7.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 28.5 tp -139.85 112.26 7.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -102.05 171.33 7.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.446 ' CE2' ' HA3' ' A' ' 53' ' ' GLY . 42.5 p90 -154.71 154.04 32.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.928 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.54 ' CD2' ' HA ' ' A' ' 48' ' ' GLU . 0.9 OUTLIER -140.46 148.0 40.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.477 ' HA ' ' NE ' ' A' ' 31' ' ' ARG . 34.4 mmtt -47.3 -35.11 7.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.931 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 45' ' ' ASP . 1.0 OUTLIER -146.4 -176.72 5.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.843 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -76.89 48.03 0.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.408 ' NZ ' ' HB2' ' A' ' 44' ' ' LYS . 8.3 pttm -100.13 -28.67 12.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.54 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 4.8 pt-20 39.72 43.06 1.08 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -102.36 -66.84 0.9 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.4 m -113.47 104.94 12.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.528 HG12 ' CE2' ' A' ' 43' ' ' TYR . 90.3 mt -59.94 134.83 25.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.129 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.467 ' CD1' ' HG2' ' A' ' 44' ' ' LYS . 8.0 mt -94.04 -41.96 9.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.446 ' HA3' ' CE2' ' A' ' 42' ' ' TYR . . . -150.06 144.0 11.41 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.505 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.9 t -110.12 145.79 36.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.873 0.368 . . . . 0.0 110.871 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.423 ' HA ' ' HD2' ' A' ' 56' ' ' PRO . 45.9 mt -126.4 105.08 24.54 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.616 0.722 . . . . 0.0 111.11 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 55' ' ' ILE . 54.0 Cg_endo -69.81 133.32 25.19 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.706 2.27 . . . . 0.0 112.357 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 81.6 mt -128.93 55.17 1.74 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.8 tp -76.89 -63.22 1.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.973 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.7 m -128.22 40.44 3.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.839 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -78.33 -179.82 6.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -129.97 92.31 3.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.411 HG11 ' HG3' ' A' ' 104' ' ' MET . 8.2 t -98.84 131.08 46.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -174.14 157.34 2.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.119 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -42.74 137.02 2.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.122 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.612 HG22 ' O ' ' A' ' 76' ' ' THR . 23.8 m -64.66 -179.05 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.446 ' CD ' ' HD2' ' A' ' 67' ' ' PRO . 2.5 mm100 -131.01 161.85 59.15 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.575 0.702 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.446 ' HD2' ' CD ' ' A' ' 66' ' ' GLN . 53.8 Cg_endo -69.75 -9.07 25.21 Favored 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.672 2.248 . . . . 0.0 112.357 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.0 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.836 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.2 mmtm . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.796 0.331 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.479 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 2.5 m-70 65.21 41.86 4.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.612 ' O ' HG22 ' A' ' 65' ' ' VAL . 10.3 m -120.63 136.47 54.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.476 ' CE2' ' HB2' ' A' ' 89' ' ' PHE . 6.8 p90 -124.16 162.97 22.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.533 ' HB3' ' CE1' ' A' ' 88' ' ' PHE . 32.7 pttt -129.95 144.44 51.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.409 ' CB ' HG22 ' A' ' 62' ' ' VAL . . . -125.59 118.41 25.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.421 ' HB2' HG23 ' A' ' 86' ' ' THR . 35.9 tt0 -133.17 150.24 52.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.882 0.372 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.421 HG23 ' HB2' ' A' ' 80' ' ' GLU . 2.2 m -115.83 100.19 7.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -86.94 158.87 19.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.533 ' CE1' ' HB3' ' A' ' 78' ' ' LYS . 63.2 m-85 -140.86 130.03 23.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.865 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.476 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 42.0 m-85 -134.14 137.31 44.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 31.0 t -114.44 129.92 56.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -96.47 138.66 33.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.1 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -58.49 -43.84 89.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.8 m -115.6 160.13 35.93 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.669 0.747 . . . . 0.0 110.866 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.479 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 53.9 Cg_endo -69.82 -35.82 11.76 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.652 2.235 . . . . 0.0 112.346 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -59.61 -39.59 84.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -67.22 -49.82 63.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -42.01 -62.45 0.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -56.54 -50.01 73.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -48.3 -46.32 36.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 0.469 ' O ' ' N ' ' A' ' 102' ' ' GLN . 65.1 m95 -65.22 -62.92 1.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.936 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.438 ' C ' ' O ' ' A' ' 100' ' ' TRP . 86.4 mt -34.66 -34.06 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.105 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 100' ' ' TRP . 24.9 mt-30 -88.51 -54.06 4.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.916 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.57 -51.76 45.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.411 ' HG3' HG11 ' A' ' 62' ' ' VAL . 7.8 ptm -81.14 -38.49 27.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -55.02 -48.54 66.91 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.488 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.402 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 5.5 pt-20 -53.28 -42.92 67.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.891 0.377 . . . . 0.0 110.898 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.402 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -57.58 -27.61 62.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.092 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -86.13 -33.56 20.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.126 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.918 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 95.7 t . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.922 0.391 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.3 m -90.22 -43.24 10.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 35.0 tttp -156.59 149.31 23.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -157.33 134.26 10.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.065 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -174.28 162.75 33.24 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.551 ' CE3' ' HE2' ' A' ' 30' ' ' LYS . 92.4 m95 -73.93 107.84 6.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.782 0.325 . . . . 0.0 110.873 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.427 HD11 ' CE2' ' A' ' 100' ' ' TRP . 18.0 mt -120.18 129.7 54.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -78.62 116.48 19.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.88 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.1 tttt -88.2 139.94 29.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -81.95 127.02 32.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.098 179.884 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.786 0.327 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 45.5 m95 -119.51 154.11 34.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -140.56 133.26 28.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.551 ' HE2' ' CE3' ' A' ' 16' ' ' TRP . 21.5 tttm -70.01 127.62 33.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -147.72 142.8 27.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 48.4 t-105 -76.48 121.68 23.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -113.97 139.32 49.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 48.6 t -134.3 106.1 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.429 HD12 ' O ' ' A' ' 39' ' ' CYS . 25.2 tp -65.78 126.17 27.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.741 HG22 ' H ' ' A' ' 37' ' ' ASP . 2.3 p -120.91 179.25 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.741 ' H ' HG22 ' A' ' 36' ' ' VAL . 2.3 m-20 -51.59 114.83 1.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 57.3 mtt180 39.4 39.24 0.45 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.529 ' C ' HG12 ' A' ' 36' ' ' VAL . 1.5 m -166.55 173.57 9.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.4 tp -151.53 124.7 8.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.55 ' CE1' ' HB2' ' A' ' 54' ' ' SER . 85.2 m-85 -110.79 153.04 25.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.599 ' CD2' ' O ' ' A' ' 53' ' ' GLY . 20.8 p90 -136.66 137.91 40.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.943 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.583 ' CE2' HG12 ' A' ' 51' ' ' ILE . 2.7 m-85 -121.07 159.51 25.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -47.52 -48.04 27.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.861 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -147.39 177.64 9.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -50.74 -41.85 56.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.862 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.8 mtpp -42.61 -32.18 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.559 ' HG2' ' CD1' ' A' ' 43' ' ' TYR . 41.4 mt-10 58.46 43.54 19.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -48.97 -60.62 2.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 t -149.73 147.11 27.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.846 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.583 HG12 ' CE2' ' A' ' 43' ' ' TYR . 69.4 mt -72.35 128.64 35.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.108 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.502 ' HB2' ' CE1' ' A' ' 42' ' ' TYR . 25.8 mt -94.32 -48.08 6.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.599 ' O ' ' CD2' ' A' ' 42' ' ' TYR . . . -152.58 143.26 10.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.485 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.55 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 31.3 t -110.66 149.56 30.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.899 0.38 . . . . 0.0 110.808 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.56 HG12 ' CE2' ' A' ' 87' ' ' TYR . 23.1 mt -120.71 108.16 37.51 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.647 0.736 . . . . 0.0 111.112 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.505 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 54.0 Cg_endo -69.76 99.92 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.666 2.244 . . . . 0.0 112.369 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.521 HD13 ' HB2' ' A' ' 104' ' ' MET . 38.1 mt -82.53 51.28 1.82 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.3 tp -103.81 114.27 28.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 m 61.61 39.43 14.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.505 ' CE1' ' O ' ' A' ' 56' ' ' PRO . 7.6 m-85 -99.33 155.8 17.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 47.3 ttt85 -107.84 97.73 7.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 44.4 t -96.94 133.51 38.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.082 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -175.09 165.29 3.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.112 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -56.3 142.63 37.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.093 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 30.7 m -70.16 -174.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -133.59 161.45 63.68 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.586 0.707 . . . . 0.0 110.926 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 3.03 3.01 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.701 2.267 . . . . 0.0 112.359 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.9 m . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 -179.847 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.9 mmtm . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.821 0.343 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.549 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 1.4 m-70 51.41 47.04 25.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.915 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 23.6 m -124.91 139.85 53.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.558 ' CZ ' ' HB2' ' A' ' 89' ' ' PHE . 23.7 p90 -133.99 152.29 51.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 47.0 pttt -110.52 150.95 28.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -134.06 103.89 5.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.124 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -139.64 129.33 24.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.0 ttp180 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.885 0.374 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 24.3 m -108.93 102.8 11.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.56 ' CE2' HG12 ' A' ' 55' ' ' ILE . 37.9 m-85 -83.62 118.91 24.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -102.88 141.9 34.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.558 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . 36.5 m-85 -140.19 125.47 18.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.9 t -106.82 112.92 26.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -83.39 133.38 34.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.107 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -49.09 -45.76 43.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.8 m -114.61 160.64 32.43 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.677 0.751 . . . . 0.0 110.849 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.549 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 53.5 Cg_endo -69.81 -29.77 23.09 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.681 2.254 . . . . 0.0 112.391 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -62.61 -39.36 93.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -68.61 -47.41 66.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.423 ' CD ' ' HA ' ' A' ' 75' ' ' HIS . 12.4 tt0 -45.22 -64.23 0.76 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -53.51 -48.9 68.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -49.69 -49.32 48.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.092 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 0.427 ' CE2' HD11 ' A' ' 17' ' ' LEU . 67.6 m95 -61.71 -58.34 8.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 81.4 mt -37.19 -37.31 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -87.15 -58.6 2.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -39.39 -67.3 0.23 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.521 ' HB2' HD13 ' A' ' 57' ' ' LEU . 11.6 ptp -72.5 -29.72 63.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.401 ' N ' ' HG3' ' A' ' 104' ' ' MET . . . -54.84 -53.02 42.24 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.533 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 107' ' ' ALA . 4.7 pt-20 -55.64 -42.46 75.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.851 0.358 . . . . 0.0 110.89 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.409 ' N ' ' HG3' ' A' ' 106' ' ' GLU . . . -64.37 -24.18 67.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.096 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -83.55 -42.01 17.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.086 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 8.7 ptt180 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.839 -179.881 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.8 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.891 0.377 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.5 m -89.92 -52.96 4.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.7 tttp -150.57 153.44 35.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.935 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.465 ' HB1' HG22 ' A' ' 34' ' ' VAL . . . -157.29 137.31 12.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.087 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 179.83 169.32 39.92 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.45 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.525 ' CD2' ' HE2' ' A' ' 30' ' ' LYS . 98.4 m95 -77.77 123.4 26.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.804 0.335 . . . . 0.0 110.939 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.6 mt -133.75 131.4 39.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -79.74 115.54 19.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.6 tttm -91.29 126.28 36.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.417 ' OE1' ' CZ2' ' A' ' 28' ' ' TRP . 18.1 tt0 -63.67 134.66 55.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.888 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.76 0.314 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TRP . . . . . 0.417 ' CZ2' ' OE1' ' A' ' 20' ' ' GLN . 21.6 m95 -125.69 136.8 53.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -121.99 155.44 35.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.525 ' HE2' ' CD2' ' A' ' 16' ' ' TRP . 73.2 tttt -94.29 142.0 27.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -156.28 153.87 29.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.834 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 75.4 t-105 -85.62 114.2 22.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -106.61 139.82 40.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.465 HG22 ' HB1' ' A' ' 14' ' ' ALA . 71.7 t -134.99 103.73 4.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.111 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.481 HD12 ' O ' ' A' ' 39' ' ' CYS . 27.2 tp -61.76 128.27 35.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.626 HG22 ' H ' ' A' ' 37' ' ' ASP . 0.8 OUTLIER -123.11 178.74 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.162 179.848 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.626 ' H ' HG22 ' A' ' 36' ' ' VAL . 6.6 p-10 -45.1 115.9 1.0 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.849 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.472 ' HA ' ' HB1' ' A' ' 107' ' ' ALA . 50.0 mtt180 34.27 32.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.506 ' N ' ' O ' ' A' ' 37' ' ' ASP . 1.7 m -154.58 176.67 12.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 28.9 tp -151.87 127.5 10.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -115.02 160.44 19.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.576 ' CE2' ' HB2' ' A' ' 52' ' ' LEU . 48.6 p90 -141.26 141.21 34.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.94 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.51 ' CD2' ' HG3' ' A' ' 48' ' ' GLU . 1.4 m-85 -131.05 161.34 32.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.865 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.46 ' HG2' HD11 ' A' ' 52' ' ' LEU . 10.3 mmtp -48.46 -47.06 38.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.92 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -148.01 -178.86 6.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 47' ' ' LYS . 3.1 pp20? -53.87 -43.57 69.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 46' ' ' GLU . 5.6 mmmm -36.26 -43.42 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.51 ' HG3' ' CD2' ' A' ' 43' ' ' TYR . 24.5 tt0 70.7 45.0 0.6 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -47.68 -61.31 2.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 58.0 p -150.44 159.47 44.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 72.9 mt -81.31 129.77 36.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.102 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.576 ' HB2' ' CE2' ' A' ' 42' ' ' TYR . 6.7 mt -94.4 -47.17 6.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.956 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.411 ' CA ' ' CE1' ' A' ' 42' ' ' TYR . . . -150.46 151.49 23.52 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.481 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 24.6 p -114.24 135.18 54.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.833 0.349 . . . . 0.0 110.878 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.414 ' HA ' ' HD2' ' A' ' 56' ' ' PRO . 28.9 mt -115.67 104.99 52.44 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.628 0.728 . . . . 0.0 111.121 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 55' ' ' ILE . 53.9 Cg_endo -69.75 105.28 1.46 Allowed 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.64 2.227 . . . . 0.0 112.338 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 24.3 mt -86.68 44.54 1.17 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.3 tp -93.22 105.32 17.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.1 t 69.3 38.81 1.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.584 ' CD1' ' HB2' ' A' ' 81' ' ' HIS . 8.6 m-85 -101.87 124.84 48.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -78.42 102.12 7.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 46.3 t -96.22 128.22 47.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.058 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -174.89 151.5 1.39 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.063 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.84 143.44 1.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.087 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.5 m -50.39 -178.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.166 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -115.48 157.69 43.48 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.567 0.699 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -11.74 31.45 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.692 2.261 . . . . 0.0 112.322 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.853 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.777 0.322 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.505 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 3.5 m-70 38.37 42.69 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.824 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.475 HG23 ' O ' ' A' ' 89' ' ' PHE . 24.9 m -106.13 150.05 26.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 89' ' ' PHE . 21.8 p90 -139.82 152.49 46.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 46.7 pttt -117.96 151.32 37.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.854 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -125.59 103.02 7.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.059 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -120.0 130.15 54.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.584 ' HB2' ' CD1' ' A' ' 60' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.904 0.383 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.5 m -140.1 106.31 5.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.101 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -81.78 166.57 19.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -144.96 118.85 9.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . 34.1 m-85 -124.51 132.74 53.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 31.9 t -113.75 115.55 27.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -85.74 130.8 34.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.068 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -50.07 -44.51 51.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.1 m -112.9 153.41 45.2 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.668 0.747 . . . . 0.0 110.845 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.505 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 53.8 Cg_endo -69.75 -19.76 35.76 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.698 2.265 . . . . 0.0 112.316 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -73.0 -36.58 67.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -72.56 -45.07 61.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -44.6 -56.37 4.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.936 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -60.82 -50.23 74.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -48.97 -47.23 44.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.102 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 57.6 m95 -64.03 -58.01 7.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 74.9 mt -38.74 -39.24 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.164 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -83.83 -55.29 4.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -43.39 -62.9 0.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 7.1 ptp -75.62 -27.33 58.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -58.45 -51.85 56.29 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.506 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -55.86 -41.81 74.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.359 . . . . 0.0 110.863 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.472 ' HB1' ' HA ' ' A' ' 38' ' ' ARG . . . -60.56 -29.85 69.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.082 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.476 ' HB1' ' H ' ' A' ' 60' ' ' PHE . . . -87.95 -36.37 17.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.917 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.7 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.972 0.415 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.9 m -92.0 -50.6 5.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.198 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.6 tttp -154.18 152.07 29.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.936 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -159.75 134.81 8.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -176.16 164.93 35.13 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.421 ' CH2' ' HA ' ' A' ' 45' ' ' ASP . 92.4 m95 -74.37 110.87 9.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.824 0.345 . . . . 0.0 110.952 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.461 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 12.6 mt -119.86 140.14 51.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.517 ' CZ ' ' HD2' ' A' ' 30' ' ' LYS . 11.6 m-85 -86.47 118.93 26.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.9 tttt -95.45 124.06 39.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.911 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.6 tp60 -61.0 150.94 31.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 179.878 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.2 pt20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.823 0.344 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 40.2 m95 -122.34 130.43 53.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -107.48 122.12 45.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.517 ' HD2' ' CZ ' ' A' ' 18' ' ' PHE . 48.3 tttt -68.42 125.77 27.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.483 ' NE ' ' HA ' ' A' ' 44' ' ' LYS . 1.4 tpm_? -143.71 154.17 43.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 75.9 t-105 -83.3 117.15 22.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.461 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 37.9 m-85 -108.05 140.89 40.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.862 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 99.6 t -138.37 106.07 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.162 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.609 HD12 ' O ' ' A' ' 39' ' ' CYS . 18.4 tp -68.21 123.57 21.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.723 HG22 ' H ' ' A' ' 37' ' ' ASP . 1.1 p -117.18 -177.44 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.153 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.723 ' H ' HG22 ' A' ' 36' ' ' VAL . 5.9 p-10 -48.16 114.88 1.02 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.533 ' HA ' ' HB1' ' A' ' 107' ' ' ALA . 37.4 mtt180 36.2 31.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.609 ' O ' HD12 ' A' ' 35' ' ' LEU . 1.7 m -153.57 175.62 13.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 32.5 tp -150.58 125.41 9.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.959 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -113.85 155.11 26.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.582 ' CE1' ' HB2' ' A' ' 52' ' ' LEU . 39.2 p90 -139.35 142.87 37.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.546 ' CD1' ' HG2' ' A' ' 48' ' ' GLU . 2.1 m-85 -130.93 153.8 48.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.483 ' HA ' ' NE ' ' A' ' 31' ' ' ARG . 25.1 mttm -42.47 -43.08 3.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.929 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.421 ' HA ' ' CH2' ' A' ' 16' ' ' TRP . 1.7 m-20 -151.71 -179.31 7.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.0 -17.83 19.98 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -58.96 -35.98 74.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.546 ' HG2' ' CD1' ' A' ' 43' ' ' TYR . 16.7 mt-10 55.73 42.69 28.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -54.89 -51.39 66.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 51.4 m -153.59 139.02 17.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 48.9 mt -65.54 132.17 31.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.11 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.582 ' HB2' ' CE1' ' A' ' 42' ' ' TYR . 91.9 mt -96.07 -43.85 7.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.936 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.43 ' HA3' ' CE2' ' A' ' 42' ' ' TYR . . . -150.81 150.51 22.51 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 53.0 p -119.17 126.79 52.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.842 0.353 . . . . 0.0 110.832 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.409 ' HA ' ' HD2' ' A' ' 56' ' ' PRO . 21.6 mt -104.71 104.93 48.48 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.605 0.717 . . . . 0.0 111.166 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 55' ' ' ILE . 53.0 Cg_endo -69.84 100.87 0.86 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.68 2.253 . . . . 0.0 112.301 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 38.5 mt -93.6 42.76 1.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.1 tp -59.19 -64.05 1.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 52.4 m -130.89 39.57 3.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.426 ' O ' ' HB1' ' A' ' 108' ' ' ALA . 5.6 m-85 -78.82 161.87 26.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 78.2 ttt-85 -115.08 93.99 4.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.588 HG11 ' HG3' ' A' ' 104' ' ' MET . 6.5 t -95.53 129.39 45.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 64' ' ' ALA . . . -172.26 152.03 2.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.076 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 63' ' ' ALA . . . -35.59 150.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.075 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.701 HG22 ' O ' ' A' ' 76' ' ' THR . 3.9 m -62.96 171.32 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -99.47 155.18 36.8 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.599 0.714 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -2.59 10.45 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.645 2.23 . . . . 0.0 112.324 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 89.7 p . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.896 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 75' ' ' HIS . 22.5 mtpp . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.798 0.332 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.465 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 3.4 m-70 34.91 43.47 0.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.869 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.701 ' O ' HG22 ' A' ' 65' ' ' VAL . 89.3 m -106.93 142.33 36.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.124 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.577 ' CE2' ' HB2' ' A' ' 89' ' ' PHE . 3.3 p90 -125.82 158.64 34.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.7 pttt -115.01 150.12 36.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -129.92 107.64 9.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.081 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -141.33 124.19 16.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.409 ' HB2' ' CD1' ' A' ' 60' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.843 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 43.8 ttt180 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.87 0.367 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 17.6 m -122.44 107.73 12.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.119 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -86.36 156.6 20.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -130.96 119.76 22.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.577 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 56.1 m-85 -122.27 129.07 51.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 11.5 t -110.68 133.28 53.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.804 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -105.71 133.94 49.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -56.43 -39.92 73.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 72.3 m -117.74 151.95 49.23 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.668 0.746 . . . . 0.0 110.885 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.465 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 53.1 Cg_endo -69.84 -16.18 37.1 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.642 2.228 . . . . 0.0 112.365 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -78.63 -30.81 46.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -77.99 -40.23 39.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.876 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -48.68 -55.03 12.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -61.63 -55.43 30.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -43.12 -46.83 5.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.099 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 0.439 ' O ' ' C ' ' A' ' 101' ' ' ILE . 55.0 m95 -66.19 -65.34 0.69 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.439 ' C ' ' O ' ' A' ' 100' ' ' TRP . 81.8 mt -35.02 -39.06 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.1 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -79.41 -48.37 14.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.0 -55.7 31.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.588 ' HG3' HG11 ' A' ' 62' ' ' VAL . 4.7 ptm -74.3 -42.94 58.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -54.32 -53.36 38.43 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.481 ' HA ' ' NE ' ' A' ' 109' ' ' ARG . 4.0 pt-20 -53.44 -43.19 67.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.884 0.373 . . . . 0.0 110.906 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.533 ' HB1' ' HA ' ' A' ' 38' ' ' ARG . . . -52.12 -26.72 11.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.426 ' HB1' ' O ' ' A' ' 60' ' ' PHE . . . -76.92 -41.35 43.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.137 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.481 ' NE ' ' HA ' ' A' ' 106' ' ' GLU . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 91.0 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.944 0.402 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.2 m -85.09 -55.11 4.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -149.65 143.69 25.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.45 ' HB1' ' CZ2' ' A' ' 32' ' ' TRP . . . -143.05 127.67 18.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -168.03 159.84 33.2 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.521 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.52 ' CE3' ' HE2' ' A' ' 30' ' ' LYS . 83.3 m95 -75.01 119.39 19.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.803 0.335 . . . . 0.0 110.895 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.49 HD11 ' CD2' ' A' ' 100' ' ' TRP . 29.4 mt -129.85 141.5 50.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -86.5 122.59 30.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.6 tttm -99.57 127.2 45.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -72.65 140.8 48.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.924 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.8 pt20 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.82 0.343 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 36.6 m95 -112.76 144.84 41.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -131.93 108.14 9.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.52 ' HE2' ' CE3' ' A' ' 16' ' ' TRP . 81.8 tttt -46.12 136.66 6.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.7 tpp180 -155.17 148.74 25.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.45 ' CZ2' ' HB1' ' A' ' 14' ' ' ALA . 67.4 t-105 -80.92 121.82 26.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.413 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 45.5 m-85 -114.22 136.36 53.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.876 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 94.5 t -133.95 97.91 2.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.166 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.611 HD12 ' O ' ' A' ' 39' ' ' CYS . 24.9 tp -58.35 132.26 53.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.739 HG22 ' H ' ' A' ' 37' ' ' ASP . 1.2 p -123.85 -176.68 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.739 ' H ' HG22 ' A' ' 36' ' ' VAL . 2.6 m-20 -55.57 114.83 2.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.4 mtm180 40.26 38.27 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.611 ' O ' HD12 ' A' ' 35' ' ' LEU . 2.0 m -166.13 175.58 8.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.8 tp -150.71 127.47 10.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.942 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.595 ' CE1' ' HB2' ' A' ' 54' ' ' SER . 84.3 m-85 -118.09 154.55 31.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.531 ' CE1' ' O ' ' A' ' 53' ' ' GLY . 47.6 p90 -137.59 151.22 48.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.945 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.467 ' CD1' ' N ' ' A' ' 43' ' ' TYR . 2.0 m-85 -129.95 158.62 39.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.6 tttm -47.4 -48.05 26.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 46' ' ' GLU . 5.8 t70 -151.52 166.93 29.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.493 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 32.1 tt0 -44.32 -33.73 1.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -37.93 -35.46 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.911 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.426 ' OE2' ' CE1' ' A' ' 43' ' ' TYR . 18.0 mm-40 62.12 45.9 6.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.863 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -67.32 -57.15 7.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 67.6 m -155.71 151.1 26.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.412 HG12 ' CE2' ' A' ' 43' ' ' TYR . 85.0 mt -76.07 128.02 37.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.165 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.5 mp -88.21 -35.05 17.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.531 ' O ' ' CE1' ' A' ' 42' ' ' TYR . . . -167.92 153.08 22.04 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.595 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 12.0 p -112.3 149.99 31.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.927 0.394 . . . . 0.0 110.815 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 66.3 mt -121.82 117.37 29.88 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.637 0.732 . . . . 0.0 111.103 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 125.52 12.23 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.683 2.255 . . . . 0.0 112.357 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 58' ' ' LEU . 23.3 mt -120.99 22.78 10.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 57' ' ' LEU . 1.7 tp -34.73 -69.28 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 68.0 m -129.06 7.4 5.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.587 ' CZ ' ' HB2' ' A' ' 81' ' ' HIS . 8.0 m-85 -40.68 141.94 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -98.36 101.31 12.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.775 HG21 ' HG3' ' A' ' 104' ' ' MET . 32.5 t -96.38 129.07 46.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -171.0 161.24 6.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.39 138.46 7.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 76' ' ' THR . 7.5 m -52.53 179.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.133 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -110.39 160.23 29.22 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.562 0.696 . . . . 0.0 110.917 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -16.37 37.54 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.71 2.273 . . . . 0.0 112.333 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.831 -179.802 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.4 mmmt . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.795 0.331 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.496 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 2.7 m-70 51.86 52.12 15.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.471 ' O ' HG22 ' A' ' 65' ' ' VAL . 7.1 m -117.27 145.38 44.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.099 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.585 ' CD1' ' N ' ' A' ' 77' ' ' PHE . 0.3 OUTLIER -131.79 162.47 30.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.506 ' HB3' ' CE2' ' A' ' 88' ' ' PHE . 39.7 pttt -123.96 138.81 54.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.919 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.406 ' CB ' HG22 ' A' ' 62' ' ' VAL . . . -126.47 102.92 7.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -121.04 154.48 36.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.587 ' HB2' ' CZ ' ' A' ' 60' ' ' PHE . 10.0 t-160 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.8 ttt-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.858 0.361 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.2 m -124.3 105.52 9.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -85.76 150.81 24.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.506 ' CE2' ' HB3' ' A' ' 78' ' ' LYS . 40.6 m-85 -137.94 123.55 19.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.862 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.567 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 72.6 m-85 -121.45 140.58 51.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.7 t -119.84 130.83 55.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -104.86 126.61 52.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.095 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -53.05 -40.41 63.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.2 m -111.62 150.72 42.62 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.702 0.763 . . . . 0.0 110.848 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.496 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 53.9 Cg_endo -69.78 -29.97 22.93 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.713 2.275 . . . . 0.0 112.369 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -68.33 -25.53 65.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -80.71 -52.49 7.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -38.92 -59.8 0.93 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -58.69 -46.6 86.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -52.22 -45.04 65.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.088 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 0.49 ' CD2' HD11 ' A' ' 17' ' ' LEU . 64.1 m95 -68.9 -55.24 11.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.471 HD11 ' HB3' ' A' ' 77' ' ' PHE . 61.8 mt -43.1 -33.62 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.097 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -85.48 -51.49 6.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.81 -65.97 0.47 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.119 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.775 ' HG3' HG21 ' A' ' 62' ' ' VAL . 3.5 ptm -67.25 -27.23 67.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -63.26 -47.95 83.53 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.431 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 4.7 pt-20 -58.24 -44.13 88.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.824 0.345 . . . . 0.0 110.882 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.431 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -48.51 -33.58 9.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 60' ' ' PHE . . . -74.35 -43.19 57.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 33.0 mtp85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.925 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 62.2 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.894 0.378 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.6 m -84.02 -55.28 4.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.2 tttp -148.78 149.08 30.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -155.69 134.75 12.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.09 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.543 ' HA2' ' CZ3' ' A' ' 32' ' ' TRP . . . -176.59 163.77 33.06 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.494 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.454 ' CH2' ' HA ' ' A' ' 45' ' ' ASP . 95.0 m95 -73.57 117.31 15.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.809 0.338 . . . . 0.0 110.906 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.584 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 25.0 mt -128.2 139.67 52.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.47 ' CE2' ' HB2' ' A' ' 30' ' ' LYS . 3.6 m-85 -91.22 119.15 31.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.897 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.2 tttm -100.34 119.57 38.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -51.58 130.31 27.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.075 179.958 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.814 0.34 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 71.1 m95 -110.31 122.78 48.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -107.16 122.33 46.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.47 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . 21.2 tttm -68.23 126.39 29.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.7 tpp180 -142.93 150.88 40.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.543 ' CZ3' ' HA2' ' A' ' 15' ' ' GLY . 62.1 t-105 -81.2 123.13 28.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.584 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 38.0 m-85 -113.96 138.26 50.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.845 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 59.4 t -136.8 104.97 3.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.153 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.896 HD12 ' O ' ' A' ' 39' ' ' CYS . 21.6 tp -73.33 120.0 18.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.735 HG22 ' H ' ' A' ' 37' ' ' ASP . 1.2 p -110.34 -177.09 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.118 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.735 ' H ' HG22 ' A' ' 36' ' ' VAL . 8.5 p-10 -43.73 115.73 0.85 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 37' ' ' ASP . 52.2 mtt180 35.68 32.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.896 ' O ' HD12 ' A' ' 35' ' ' LEU . 4.0 m -154.06 172.12 18.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.0 tp -150.68 120.86 7.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.582 ' CE2' ' HB2' ' A' ' 54' ' ' SER . 79.7 m-85 -117.77 146.22 43.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.594 ' CE2' ' HB2' ' A' ' 52' ' ' LEU . 42.9 p90 -122.55 152.12 40.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.531 ' CD1' ' N ' ' A' ' 43' ' ' TYR . 0.5 OUTLIER -139.46 168.8 19.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.958 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.496 ' HD2' HD11 ' A' ' 52' ' ' LEU . 1.8 mptp? -54.07 -43.77 70.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.454 ' HA ' ' CH2' ' A' ' 16' ' ' TRP . 3.2 m-20 -156.04 -175.41 5.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -48.0 -32.03 6.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 48' ' ' GLU . 37.7 mttp -45.03 -34.94 2.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.52 ' HA ' ' CG ' ' A' ' 43' ' ' TYR . 12.6 pt-20 34.54 44.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -88.52 -32.38 18.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.6 t -123.42 121.56 36.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.824 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.44 HG12 ' CE2' ' A' ' 43' ' ' TYR . 97.4 mt -78.0 131.65 34.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.098 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.594 ' HB2' ' CE2' ' A' ' 42' ' ' TYR . 10.9 mt -95.33 -47.48 6.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.942 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -155.62 154.05 25.23 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.524 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.582 ' HB2' ' CE2' ' A' ' 41' ' ' PHE . 21.8 p -116.98 136.73 52.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.796 0.331 . . . . 0.0 110.876 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.426 ' HA ' ' HD2' ' A' ' 56' ' ' PRO . 59.1 mt -118.87 104.88 46.21 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.602 0.715 . . . . 0.0 111.161 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.469 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 54.1 Cg_endo -69.7 93.55 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.365 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.564 HD13 ' HB2' ' A' ' 104' ' ' MET . 84.7 mt -83.29 56.88 3.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.957 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.3 tp -88.05 -58.95 2.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.596 ' HB3' ' CE1' ' A' ' 81' ' ' HIS . 5.8 t -127.44 47.18 2.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.469 ' CE1' ' O ' ' A' ' 56' ' ' PRO . 9.5 m-85 -91.05 166.04 13.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 58.5 ttt180 -117.49 94.58 4.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.8 t -94.34 130.46 43.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 64' ' ' ALA . . . -175.11 148.07 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 63' ' ' ALA . . . -36.59 132.05 0.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.08 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 17.3 m -49.68 162.92 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -96.64 158.16 34.1 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.624 0.726 . . . . 0.0 110.93 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 1.59 4.29 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.722 2.282 . . . . 0.0 112.306 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 91.2 p . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.845 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.3 mtmm . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.818 0.342 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.505 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 3.5 m-70 58.78 46.48 14.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.635 HG23 ' O ' ' A' ' 89' ' ' PHE . 23.8 m -122.07 145.87 47.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.096 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -129.66 167.21 18.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.821 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.6 pttp -123.6 147.07 47.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -137.37 109.27 7.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.528 ' HB3' HG23 ' A' ' 86' ' ' THR . 3.0 pt-20 -135.62 148.37 48.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.596 ' CE1' ' HB3' ' A' ' 59' ' ' SER . 22.4 t60 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.403 ' HG3' ' N ' ' A' ' 86' ' ' THR . 6.1 tpm_? . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.921 0.391 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.528 HG23 ' HB3' ' A' ' 80' ' ' GLU . 23.6 m -103.99 140.8 37.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.17 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -121.25 155.83 33.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.942 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -140.15 124.63 17.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.635 ' O ' HG23 ' A' ' 76' ' ' THR . 39.2 m-85 -130.84 131.34 44.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.6 t -106.95 130.67 54.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.837 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -100.94 132.13 46.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -50.04 -46.74 53.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.9 m -111.46 159.82 31.64 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.663 0.744 . . . . 0.0 110.827 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.505 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 54.2 Cg_endo -69.74 -31.82 19.88 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.714 2.276 . . . . 0.0 112.359 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -61.04 -40.57 94.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 97' ' ' GLN . 6.1 mt-10 -66.18 -55.3 16.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 96' ' ' GLU . 10.4 tt0 -37.7 -63.78 0.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -56.27 -49.04 75.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -46.69 -50.67 17.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.081 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 0.573 ' CE2' HD11 ' A' ' 17' ' ' LEU . 70.8 m95 -61.51 -57.76 10.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.951 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 96.8 mt -38.93 -31.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -91.53 -51.55 5.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -49.62 -60.12 3.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.564 ' HB2' HD13 ' A' ' 57' ' ' LEU . 17.3 ptp -76.63 -35.83 57.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.869 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.435 ' N ' ' HG3' ' A' ' 104' ' ' MET . . . -56.34 -42.61 89.23 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.451 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -65.2 -38.66 91.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.862 0.363 . . . . 0.0 110.874 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -68.9 -23.62 64.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.078 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -92.3 -36.65 13.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 -179.928 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.84 0.353 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.6 m -97.16 -51.47 4.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.9 tttp -152.06 146.11 25.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.424 ' HB1' ' CZ2' ' A' ' 32' ' ' TRP . . . -149.87 127.12 11.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -169.36 163.49 37.11 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.465 ' CE3' ' HE2' ' A' ' 30' ' ' LYS . 95.4 m95 -75.4 115.57 15.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.813 0.339 . . . . 0.0 110.901 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.8 mt -125.24 139.23 53.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -89.89 118.81 29.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.5 tttm -96.79 127.27 42.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -66.03 134.86 53.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.915 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.081 179.927 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.785 0.326 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 65.6 m95 -123.82 126.08 45.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -111.76 121.64 45.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.465 ' HE2' ' CE3' ' A' ' 16' ' ' TRP . 81.0 tttt -63.39 137.88 58.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 -157.71 148.34 20.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.424 ' CZ2' ' HB1' ' A' ' 14' ' ' ALA . 70.5 t-105 -79.93 117.96 21.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.607 ' HD2' HD21 ' A' ' 40' ' ' LEU . 28.8 m-85 -111.82 131.41 55.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 94.7 t -129.43 104.11 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.171 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.408 HD12 ' N ' ' A' ' 36' ' ' VAL . 15.0 tp -61.53 132.66 54.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.719 HG22 ' H ' ' A' ' 37' ' ' ASP . 0.8 OUTLIER -125.81 -173.41 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.139 179.855 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.719 ' H ' HG22 ' A' ' 36' ' ' VAL . 7.3 t0 -55.11 121.97 9.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.49 ' C ' ' O ' ' A' ' 37' ' ' ASP . 7.4 mtt85 30.27 38.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.508 ' HB3' ' CG1' ' A' ' 36' ' ' VAL . 1.6 t -168.96 171.99 7.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.607 HD21 ' HD2' ' A' ' 33' ' ' PHE . 27.5 tp -145.17 139.96 27.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -127.01 150.03 49.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.534 ' CE2' ' HA3' ' A' ' 53' ' ' GLY . 43.4 p90 -130.94 144.16 51.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.54 ' CD2' ' HA ' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -130.34 162.09 29.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.912 -179.887 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.3 tttm -55.36 -42.47 73.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.885 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.79 177.53 9.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.846 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -51.57 -25.46 6.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.479 ' O ' ' C ' ' A' ' 48' ' ' GLU . 20.0 mmtm -48.05 -32.28 6.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.54 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 2.4 pp20? 32.02 37.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 47' ' ' LYS . 7.0 mm-40 -72.7 -35.4 67.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 83.0 p -139.02 126.54 21.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.1 mt -69.04 141.38 17.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.433 ' HB2' ' CE1' ' A' ' 42' ' ' TYR . 22.7 mt -103.54 -43.43 5.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.964 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.534 ' HA3' ' CE2' ' A' ' 42' ' ' TYR . . . -146.43 151.18 23.47 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.462 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 84.3 p -117.11 136.5 52.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.87 0.367 . . . . 0.0 110.854 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 17.5 mt -119.54 106.07 42.81 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.653 0.739 . . . . 0.0 111.123 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 97.33 0.63 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.73 2.286 . . . . 0.0 112.356 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 13.9 mt -81.02 41.91 0.61 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.3 tp -92.91 113.23 25.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 m 63.93 39.57 8.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.436 ' CD1' ' HB2' ' A' ' 81' ' ' HIS . 7.2 m-85 -103.67 142.79 33.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.821 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 39.3 ttp180 -99.21 111.67 24.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.879 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.3 t -106.43 131.54 55.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.159 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -174.25 158.75 3.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.43 143.43 6.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.057 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.658 HG22 ' O ' ' A' ' 76' ' ' THR . 30.3 m -66.2 -178.15 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -129.48 161.34 59.5 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.655 0.741 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 2.01 3.95 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.686 2.258 . . . . 0.0 112.336 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.888 -179.871 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.7 mtmt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.843 0.354 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 2.8 m170 39.16 44.4 0.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.658 ' O ' HG22 ' A' ' 65' ' ' VAL . 4.2 m -117.84 129.56 55.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.423 ' CZ ' ' HB2' ' A' ' 89' ' ' PHE . 13.0 p90 -120.92 159.89 24.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.474 ' HB3' HG12 ' A' ' 65' ' ' VAL . 41.3 pttt -125.76 147.06 49.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -121.09 107.42 12.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.179 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 62.6 tt0 -131.53 136.89 48.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.841 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.436 ' HB2' ' CD1' ' A' ' 60' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.916 0.389 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.413 HG22 ' CE1' ' A' ' 88' ' ' PHE . 15.4 m -128.55 100.93 5.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -85.97 160.28 19.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.413 ' CE1' HG22 ' A' ' 86' ' ' THR . 87.1 m-85 -142.42 134.46 27.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.856 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.45 ' O ' HG23 ' A' ' 76' ' ' THR . 30.3 m-85 -137.81 140.4 40.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 16.1 t -119.04 107.69 13.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.24 129.53 35.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -51.6 -44.86 62.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.4 m -112.3 157.31 40.35 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.663 0.744 . . . . 0.0 110.845 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -33.94 15.71 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.704 2.269 . . . . 0.0 112.322 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -62.45 -31.48 72.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -75.18 -48.58 22.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -42.69 -65.75 0.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.957 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -53.09 -48.71 67.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -49.91 -46.25 51.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 59.6 m95 -66.84 -58.8 4.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 59.6 mt -39.23 -34.51 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -88.45 -47.01 8.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.2 -61.91 1.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 6.2 ptp -76.04 -21.8 56.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -68.73 -46.18 62.27 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.503 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.411 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 6.9 pt-20 -61.3 -43.11 99.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.851 0.358 . . . . 0.0 110.861 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.411 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -51.62 -30.65 22.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.122 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.14 -43.41 70.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.079 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.851 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 85.3 t . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.897 0.38 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.8 m -83.85 -54.89 4.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.5 tttp -151.27 151.55 31.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -155.27 135.1 12.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.074 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -171.8 168.34 41.43 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.46 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.463 ' CE3' ' HE2' ' A' ' 30' ' ' LYS . 93.3 m95 -78.14 118.14 20.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.777 0.322 . . . . 0.0 110.921 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.558 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 60.2 mt -131.2 141.52 50.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.951 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -90.91 131.11 36.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -104.69 110.37 22.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -51.08 129.06 23.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.108 179.944 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.829 0.347 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 30.7 m95 -98.04 145.58 26.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 -126.67 109.57 12.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.934 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.463 ' HE2' ' CE3' ' A' ' 16' ' ' TRP . 74.7 tttt -51.24 140.12 17.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.49 148.5 23.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.469 ' CD1' ' HA ' ' A' ' 46' ' ' GLU . 65.5 t-105 -81.59 123.35 28.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.558 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 50.7 m-85 -114.41 146.11 41.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 60.3 t -143.82 106.49 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.418 HD12 ' O ' ' A' ' 39' ' ' CYS . 45.2 tp -63.17 131.48 48.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.96 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.728 HG22 ' H ' ' A' ' 37' ' ' ASP . 0.9 OUTLIER -129.0 -173.73 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.152 179.86 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.728 ' H ' HG22 ' A' ' 36' ' ' VAL . 1.3 m-20 -49.32 115.49 1.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.469 ' C ' ' O ' ' A' ' 37' ' ' ASP . 12.7 mtm105 30.75 43.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.52 ' HB3' ' CG1' ' A' ' 36' ' ' VAL . 1.2 t -166.6 170.82 12.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.5 tp -143.97 123.46 13.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.534 ' CE1' ' HB2' ' A' ' 54' ' ' SER . 82.7 m-85 -110.64 149.6 30.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.7 p90 -132.49 139.94 48.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.566 ' CE2' HG12 ' A' ' 51' ' ' ILE . 0.3 OUTLIER -128.93 163.71 24.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.9 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.871 ' HG2' HD11 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -47.45 -43.47 24.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.926 179.898 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -153.23 -176.16 5.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.469 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 8.9 pt-20 -50.91 -33.7 25.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -43.17 -38.36 2.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.507 ' HA ' ' CG ' ' A' ' 43' ' ' TYR . 14.6 pt-20 41.1 33.68 0.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -65.44 -40.13 92.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 41.5 t -133.97 139.81 46.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.566 HG12 ' CE2' ' A' ' 43' ' ' TYR . 44.5 mt -87.31 135.73 24.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.147 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.871 HD11 ' HG2' ' A' ' 44' ' ' LYS . 6.2 mt -103.34 -46.62 4.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -151.56 146.41 15.18 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.475 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.534 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 10.9 t -114.65 159.89 19.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.841 0.353 . . . . 0.0 110.883 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 29.2 mt -132.01 118.08 16.26 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.646 0.736 . . . . 0.0 111.137 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.557 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 53.6 Cg_endo -69.73 118.25 5.57 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.703 2.269 . . . . 0.0 112.315 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 57' ' ' LEU . 19.4 mt -108.8 53.3 0.69 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.912 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.446 ' O ' ' NE2' ' A' ' 81' ' ' HIS . 21.6 tp -101.15 111.15 23.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.5 t 60.93 26.43 16.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.637 ' N ' ' HB1' ' A' ' 108' ' ' ALA . 5.2 m-85 -76.08 158.15 32.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -110.67 93.51 4.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.58 HG11 ' SD ' ' A' ' 104' ' ' MET . 11.0 t -97.01 123.59 49.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.409 ' HA ' HG23 ' A' ' 101' ' ' ILE . . . -168.11 146.4 4.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.061 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 63' ' ' ALA . . . -36.41 139.73 0.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.771 HG22 ' O ' ' A' ' 76' ' ' THR . 4.4 m -50.93 179.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.453 ' CD ' ' HD2' ' A' ' 67' ' ' PRO . 5.0 mm-40 -111.05 161.86 23.2 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.647 0.737 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.453 ' HD2' ' CD ' ' A' ' 66' ' ' GLN . 53.8 Cg_endo -69.7 -21.58 33.55 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.735 2.29 . . . . 0.0 112.378 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 83.7 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.822 -179.806 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 75' ' ' HIS . 28.8 mttp . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.761 0.315 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 74' ' ' LYS . 2.6 m-70 34.54 53.26 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.849 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.771 ' O ' HG22 ' A' ' 65' ' ' VAL . 90.7 m -116.34 138.19 51.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.086 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.486 ' CZ ' ' HB2' ' A' ' 89' ' ' PHE . 18.3 p90 -121.15 160.7 23.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.845 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 36.4 pttt -119.43 141.73 48.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -133.72 108.92 8.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.424 ' HB3' HG23 ' A' ' 86' ' ' THR . 3.7 pm0 -128.21 156.3 43.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.449 ' HB2' ' CZ ' ' A' ' 60' ' ' PHE . 9.2 t-160 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 26.9 ttm180 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.843 0.354 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.424 HG23 ' HB3' ' A' ' 80' ' ' GLU . 35.6 m -112.07 131.64 55.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -106.71 139.71 40.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -118.08 118.95 33.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.769 ' O ' HG23 ' A' ' 76' ' ' THR . 64.8 m-85 -123.32 135.08 54.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 42.5 t -112.14 132.07 55.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.827 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -104.92 126.92 52.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.121 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -48.3 -40.86 26.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.945 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.7 m -117.68 154.51 50.93 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.685 0.755 . . . . 0.0 110.849 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -26.69 27.36 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.674 2.249 . . . . 0.0 112.318 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -68.81 -35.86 77.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -72.25 -44.74 62.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -47.13 -60.45 2.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -56.49 -49.49 74.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -49.4 -46.32 47.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.104 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 54.1 m95 -66.88 -55.08 16.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.409 HG23 ' HA ' ' A' ' 63' ' ' ALA . 81.8 mt -41.69 -34.88 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.149 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -87.12 -50.62 6.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -51.3 -57.63 8.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.1 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.58 ' SD ' HG11 ' A' ' 62' ' ' VAL . 5.2 ptp -80.28 -17.24 52.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -71.27 -43.82 54.24 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.506 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.412 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 5.0 pt-20 -66.2 -42.44 88.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.926 0.393 . . . . 0.0 110.925 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.412 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -51.85 -31.69 28.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.077 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.637 ' HB1' ' N ' ' A' ' 60' ' ' PHE . . . -70.89 -44.53 66.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.099 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.861 -179.869 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.914 0.388 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.1 m -92.97 -47.76 6.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.0 tttp -154.73 158.31 39.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -162.66 132.73 4.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.098 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -171.32 163.02 35.79 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.525 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.579 ' CE3' ' HE2' ' A' ' 30' ' ' LYS . 97.4 m95 -75.62 109.5 9.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.785 0.326 . . . . 0.0 110.899 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.546 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 33.6 mt -118.82 140.05 50.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -89.92 120.35 31.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.2 tttm -98.47 130.23 45.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -70.01 137.47 51.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.053 179.907 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.798 0.332 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 61.6 m95 -110.87 124.72 52.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.923 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -106.99 122.52 46.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.579 ' HE2' ' CE3' ' A' ' 16' ' ' TRP . 79.4 tttt -70.1 129.24 38.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -145.94 152.19 39.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.409 ' CD1' ' HA ' ' A' ' 46' ' ' GLU . 56.3 t-105 -78.98 115.18 18.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.937 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.546 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 41.2 m-85 -107.06 136.76 46.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 93.4 t -135.2 112.29 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.461 HD12 ' H ' ' A' ' 36' ' ' VAL . 32.6 tp -73.76 148.78 42.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.882 HG12 ' O ' ' A' ' 39' ' ' CYS . 8.9 p -131.62 174.01 13.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.137 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.732 ' H ' HG22 ' A' ' 36' ' ' VAL . 4.2 t0 -28.02 -73.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -132.48 52.25 2.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.882 ' O ' HG12 ' A' ' 36' ' ' VAL . 1.7 t -175.74 170.67 2.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.8 tp -135.31 129.82 34.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.53 ' CE2' ' HB2' ' A' ' 54' ' ' SER . 86.8 m-85 -121.35 148.71 44.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.572 ' CE1' ' HB2' ' A' ' 52' ' ' LEU . 50.6 p90 -129.36 148.15 51.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.574 ' CE2' HG12 ' A' ' 51' ' ' ILE . 0.4 OUTLIER -132.97 158.91 41.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.952 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.417 ' HG2' HD11 ' A' ' 52' ' ' LEU . 3.8 mmmp? -45.13 -46.48 11.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.8 p-10 -151.56 171.17 18.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.409 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 11.3 pt-20 -45.35 -35.94 3.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -42.58 -36.1 1.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.514 ' HG2' ' CG ' ' A' ' 43' ' ' TYR . 22.5 mt-10 58.34 39.13 25.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -53.44 -47.63 69.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.4 m -152.22 160.93 43.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.574 HG12 ' CE2' ' A' ' 43' ' ' TYR . 72.5 mt -93.94 128.78 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.131 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.572 ' HB2' ' CE1' ' A' ' 42' ' ' TYR . 11.4 mt -88.9 -48.19 7.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.458 ' O ' ' CE2' ' A' ' 42' ' ' TYR . . . -160.43 151.18 21.68 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.53 ' HB2' ' CE2' ' A' ' 41' ' ' PHE . 26.0 t -110.27 148.88 31.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.867 0.365 . . . . 0.0 110.821 -179.709 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.679 HG23 ' CZ ' ' A' ' 87' ' ' TYR . 29.9 mt -118.1 117.68 34.98 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.643 0.735 . . . . 0.0 111.095 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.585 ' O ' ' CE2' ' A' ' 60' ' ' PHE . 54.2 Cg_endo -69.75 134.19 27.42 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.686 2.258 . . . . 0.0 112.357 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.405 ' O ' ' CD1' ' A' ' 60' ' ' PHE . 48.1 mt -113.8 -29.48 7.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 57' ' ' LEU . 17.9 tp -37.17 104.04 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.1 t 74.69 54.81 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.781 ' H ' ' HB1' ' A' ' 108' ' ' ALA . 5.0 m-85 -122.36 145.05 48.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.833 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -95.66 96.56 9.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 44.9 t -98.82 126.87 51.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.14 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -175.33 155.46 1.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.26 137.04 2.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.494 HG13 ' CA ' ' A' ' 77' ' ' PHE . 33.9 m -59.8 -175.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -134.72 161.0 66.33 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.553 0.692 . . . . 0.0 110.94 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 0.71 5.24 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.676 2.251 . . . . 0.0 112.365 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.858 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.832 0.349 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.4 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 2.5 m-70 59.55 45.97 12.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.518 HG23 ' O ' ' A' ' 89' ' ' PHE . 18.2 m -121.68 144.15 48.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.174 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.575 ' CZ ' ' HB2' ' A' ' 89' ' ' PHE . 19.7 p90 -132.56 159.76 38.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -117.11 147.45 42.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -133.42 105.44 6.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.145 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -142.7 132.25 23.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 27.7 ttm180 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.917 0.389 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.7 m -110.19 105.77 14.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.679 ' CZ ' HG23 ' A' ' 55' ' ' ILE . 72.3 m-85 -84.53 124.5 31.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.92 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -103.53 130.27 50.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.575 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . 55.0 m-85 -135.46 134.32 39.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.895 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 41.5 t -116.96 110.61 18.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.14 136.61 42.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.086 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -53.67 -41.41 66.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.1 m -121.57 157.07 57.6 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.706 0.765 . . . . 0.0 110.834 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.4 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 53.7 Cg_endo -69.77 -18.86 36.72 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.654 2.236 . . . . 0.0 112.319 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -72.45 -37.17 68.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 97' ' ' GLN . 12.6 mm-40 -77.67 -47.95 17.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.874 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 96' ' ' GLU . 14.7 tt0 -34.83 -54.15 0.56 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -66.47 -46.95 74.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -47.83 -46.94 31.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 0.442 ' O ' ' N ' ' A' ' 102' ' ' GLN . 77.9 m95 -65.65 -61.38 2.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.924 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.413 ' C ' ' O ' ' A' ' 100' ' ' TRP . 96.6 mt -36.29 -32.89 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 100' ' ' TRP . 22.3 mt-30 -91.6 -47.28 7.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.94 -53.79 52.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 6.9 ptm -81.31 -31.94 33.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.849 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -64.57 -39.24 96.64 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.478 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.455 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 6.3 pt-20 -63.43 -45.05 92.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.842 0.353 . . . . 0.0 110.85 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.455 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -56.23 -32.17 64.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.066 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.781 ' HB1' ' H ' ' A' ' 60' ' ' PHE . . . -63.84 -46.03 86.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.073 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 -179.913 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.3 p . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.898 0.38 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.1 m -96.55 -45.98 6.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.14 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.0 tttp -155.68 150.84 26.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -155.64 134.76 12.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.082 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.516 ' HA2' ' CZ3' ' A' ' 32' ' ' TRP . . . -171.6 161.03 33.2 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.473 ' CE3' ' HE2' ' A' ' 30' ' ' LYS . 90.2 m95 -73.04 106.62 4.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.799 0.333 . . . . 0.0 110.928 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.579 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 18.4 mt -116.97 140.28 49.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.401 ' CE2' ' HB2' ' A' ' 30' ' ' LYS . 4.0 m-85 -87.13 117.79 26.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.1 tttm -97.98 116.98 31.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -60.11 128.17 35.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 179.92 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.833 0.349 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 37.9 m95 -94.87 137.76 33.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -122.03 102.41 8.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.473 ' HE2' ' CE3' ' A' ' 16' ' ' TRP . 61.3 tttt -45.0 127.95 6.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.3 tpp180 -145.79 147.95 32.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.516 ' CZ3' ' HA2' ' A' ' 15' ' ' GLY . 60.4 t-105 -78.51 120.54 23.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.579 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 30.0 m-85 -110.33 147.02 34.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 60.5 t -145.42 106.96 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.163 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.704 HD12 ' O ' ' A' ' 39' ' ' CYS . 16.4 tp -66.03 132.93 49.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.741 HG22 ' H ' ' A' ' 37' ' ' ASP . 1.5 p -124.78 -179.96 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.741 ' H ' HG22 ' A' ' 36' ' ' VAL . 0.8 OUTLIER -48.74 112.5 0.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.926 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.564 ' HA ' ' HB1' ' A' ' 107' ' ' ALA . 40.4 mtt85 39.13 41.02 0.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.704 ' O ' HD12 ' A' ' 35' ' ' LEU . 1.8 m -164.8 175.38 9.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 31.0 tp -149.01 128.06 12.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -118.41 162.87 17.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 18.8 p90 -145.33 147.08 31.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.49 ' CD1' ' N ' ' A' ' 43' ' ' TYR . 0.6 OUTLIER -135.13 163.07 30.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.924 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.6 mtmm -57.11 -36.87 71.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.427 ' HA ' ' CH2' ' A' ' 16' ' ' TRP . 20.6 t70 -155.2 170.31 22.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.863 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -47.65 -30.38 3.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.435 ' C ' ' HG2' ' A' ' 48' ' ' GLU . 33.1 mttm -49.97 -33.52 17.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.924 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.435 ' HG2' ' C ' ' A' ' 47' ' ' LYS . 12.1 pt-20 38.78 53.03 1.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -58.97 -56.15 25.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 30.0 t -144.68 120.15 10.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.854 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.4 HG12 ' CE2' ' A' ' 43' ' ' TYR . 69.2 mt -45.05 143.23 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.134 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.9 mt -110.71 -41.86 4.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -145.15 145.64 15.13 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.5 p -113.42 131.65 55.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.902 0.382 . . . . 0.0 110.863 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 69.4 mt -113.25 104.98 55.68 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.646 0.736 . . . . 0.0 111.164 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.402 ' O ' ' CZ ' ' A' ' 60' ' ' PHE . 53.8 Cg_endo -69.8 136.38 32.73 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.683 2.255 . . . . 0.0 112.344 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 26.4 mt -116.47 -16.32 10.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.413 ' CD1' ' HD3' ' A' ' 38' ' ' ARG . 11.0 tp -48.44 105.76 0.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.6 t 74.38 51.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.831 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.582 ' CE2' ' HB2' ' A' ' 81' ' ' HIS . 5.8 m-85 -118.35 -179.54 3.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -134.46 96.73 3.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 47.0 t -97.67 127.95 49.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 64' ' ' ALA . . . -173.18 149.47 1.81 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 63' ' ' ALA . . . -34.69 147.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.078 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.2 m -54.42 173.73 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.096 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -102.13 161.55 23.04 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.579 0.704 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -21.09 34.04 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.718 2.279 . . . . 0.0 112.312 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.855 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.4 mtmm . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.812 0.339 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.436 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 4.1 m-70 68.24 41.5 1.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.879 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 64.8 m -108.85 142.54 39.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.552 ' CZ ' ' HB2' ' A' ' 89' ' ' PHE . 1.9 p90 -130.34 156.9 43.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.842 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.6 pttt -122.31 153.46 38.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -132.87 120.48 21.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.072 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.418 ' HG2' ' N ' ' A' ' 81' ' ' HIS . 42.7 tt0 -116.69 159.09 22.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.582 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . 1.5 t60 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.839 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.853 0.359 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.9 m -105.48 100.4 9.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.144 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -81.95 150.0 27.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -128.72 123.45 33.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.552 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . 43.1 m-85 -122.46 129.21 51.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 13.2 t -107.08 126.51 52.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -102.33 130.54 49.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.128 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -53.4 -44.52 68.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.0 m -112.22 156.92 41.29 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.65 0.738 . . . . 0.0 110.862 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.436 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 54.7 Cg_endo -69.72 -33.66 16.31 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.671 2.247 . . . . 0.0 112.374 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -59.64 -38.66 81.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 97' ' ' GLN . 5.7 mt-10 -69.36 -57.41 5.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 96' ' ' GLU . 11.8 tt0 -35.88 -64.35 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -53.87 -60.23 3.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -39.31 -53.89 1.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.079 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 0.453 ' O ' ' N ' ' A' ' 102' ' ' GLN . 61.4 m95 -57.1 -59.87 4.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.422 ' C ' ' O ' ' A' ' 100' ' ' TRP . 96.6 mt -36.06 -32.53 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.08 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 100' ' ' TRP . 6.5 mm100 -91.01 -61.31 1.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 102' ' ' GLN . . . -37.36 -53.3 1.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.097 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.465 ' HG3' ' N ' ' A' ' 105' ' ' GLY . 18.1 ptp -85.03 -37.22 20.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.465 ' N ' ' HG3' ' A' ' 104' ' ' MET . . . -51.4 -55.87 17.67 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.484 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.452 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 5.3 pt-20 -45.52 -46.01 13.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.86 0.362 . . . . 0.0 110.918 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.564 ' HB1' ' HA ' ' A' ' 38' ' ' ARG . . . -53.25 -31.18 42.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.119 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.549 ' HB1' ' H ' ' A' ' 60' ' ' PHE . . . -91.85 -34.33 14.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.979 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.496 HG23 ' CG1' ' A' ' 34' ' ' VAL . 9.9 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.942 0.401 . . . . 0.0 111.092 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.5 m -99.57 -45.74 5.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.158 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.521 ' HE2' ' CE2' ' A' ' 100' ' ' TRP . 44.8 tttt -155.02 143.12 20.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.434 ' HB1' ' CZ2' ' A' ' 32' ' ' TRP . . . -145.26 137.54 25.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.141 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -175.07 163.35 33.46 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.469 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.407 ' CH2' ' HA ' ' A' ' 45' ' ' ASP . 92.2 m95 -81.72 116.99 21.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.813 0.339 . . . . 0.0 110.919 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.543 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 29.4 mt -124.63 172.87 8.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.573 ' CZ ' ' HD3' ' A' ' 30' ' ' LYS . 9.7 m-85 -115.71 117.49 30.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.8 tttm -97.21 127.04 42.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -62.81 145.82 54.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.084 179.955 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.757 0.313 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 70.4 m95 -129.83 120.21 24.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -103.1 118.93 37.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.867 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.573 ' HD3' ' CZ ' ' A' ' 18' ' ' PHE . 5.7 ttpm? -79.42 126.77 31.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.487 ' NE ' ' HA ' ' A' ' 44' ' ' LYS . 20.0 mmt-85 -138.03 164.84 28.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.434 ' CZ2' ' HB1' ' A' ' 14' ' ' ALA . 67.1 t-105 -82.45 112.62 19.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.543 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 46.5 m-85 -99.95 138.39 37.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.496 ' CG1' HG23 ' A' ' 11' ' ' VAL . 44.8 t -134.87 96.2 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.552 HD12 ' O ' ' A' ' 39' ' ' CYS . 11.9 tp -64.81 112.92 3.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.684 HG22 ' H ' ' A' ' 37' ' ' ASP . 0.9 OUTLIER -101.13 -178.48 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 179.832 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.684 ' H ' HG22 ' A' ' 36' ' ' VAL . 18.3 m-20 -50.51 111.25 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.432 ' HA ' ' HB1' ' A' ' 107' ' ' ALA . 24.8 mtt85 43.59 40.08 2.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.866 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.552 ' O ' HD12 ' A' ' 35' ' ' LEU . 1.6 m -166.05 167.13 16.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 41.2 tp -142.9 129.01 19.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.484 ' CE1' ' HB2' ' A' ' 54' ' ' SER . 96.8 m-85 -127.01 147.98 50.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.576 ' CE2' ' HB2' ' A' ' 52' ' ' LEU . 22.0 p90 -121.8 166.53 14.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.56 ' CE2' HG12 ' A' ' 51' ' ' ILE . 0.5 OUTLIER -149.94 162.42 40.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.91 -179.905 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.487 ' HA ' ' NE ' ' A' ' 31' ' ' ARG . 63.1 mttt -51.53 -31.77 25.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.893 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.407 ' HA ' ' CH2' ' A' ' 16' ' ' TRP . 0.6 OUTLIER -171.58 169.53 6.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.931 179.859 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.419 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 2.0 pp20? -41.58 -28.51 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.875 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -42.04 -41.72 2.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.551 ' HG2' ' CE2' ' A' ' 43' ' ' TYR . 3.9 tt0 52.56 53.32 12.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -87.78 -27.56 22.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 47.5 t -162.86 144.59 10.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.56 HG12 ' CE2' ' A' ' 43' ' ' TYR . 41.7 mt -90.64 130.57 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.112 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.701 HD22 ' N ' ' A' ' 52' ' ' LEU . 1.1 mm? -86.13 -39.36 16.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.936 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -151.8 162.69 29.79 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.475 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.484 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 30.8 p -116.59 142.27 47.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.813 0.339 . . . . 0.0 110.829 -179.687 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.407 ' HA ' ' HD2' ' A' ' 56' ' ' PRO . 47.4 mt -123.37 104.99 34.04 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.646 0.736 . . . . 0.0 111.117 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 55' ' ' ILE . 53.6 Cg_endo -69.76 135.26 30.01 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.689 2.259 . . . . 0.0 112.35 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 41.7 mt -129.55 55.6 1.76 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.6 tp -77.75 -68.99 0.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 95.1 p -126.01 26.26 6.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.573 ' CZ ' ' HB2' ' A' ' 81' ' ' HIS . 6.7 m-85 -60.7 175.89 0.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.916 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 34.7 ttt180 -127.84 95.77 4.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.724 HG11 ' SD ' ' A' ' 104' ' ' MET . 3.8 t -96.92 128.36 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.085 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -168.66 179.79 4.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.149 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.14 144.61 54.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 12.1 m -70.33 -177.2 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.118 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.496 ' HA ' ' NE2' ' A' ' 66' ' ' GLN . 2.4 mm-40 -129.91 164.98 36.72 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.532 0.682 . . . . 0.0 110.952 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.431 ' HD2' ' OE1' ' A' ' 66' ' ' GLN . 54.1 Cg_endo -69.73 -13.1 34.27 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.72 2.28 . . . . 0.0 112.39 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.5 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.883 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.769 0.318 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.508 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 0.9 OUTLIER 59.65 36.46 22.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.819 179.893 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.679 HG23 ' O ' ' A' ' 89' ' ' PHE . 25.4 m -116.63 140.57 49.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.129 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.476 ' CE2' ' HB2' ' A' ' 89' ' ' PHE . 6.5 p90 -130.75 158.15 40.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.575 ' HB3' ' CE1' ' A' ' 88' ' ' PHE . 30.3 pttt -121.34 155.93 33.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -129.08 118.11 21.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.401 ' HB2' HG23 ' A' ' 86' ' ' THR . 7.6 tt0 -119.8 144.08 47.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.573 ' HB2' ' CZ ' ' A' ' 60' ' ' PHE . 9.5 t-80 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.912 0.387 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.401 HG23 ' HB2' ' A' ' 80' ' ' GLU . 1.9 m -116.55 101.06 8.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.173 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -84.34 166.54 17.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.575 ' CE1' ' HB3' ' A' ' 78' ' ' LYS . 60.9 m-85 -145.07 141.68 29.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.859 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.679 ' O ' HG23 ' A' ' 76' ' ' THR . 49.2 m-85 -140.1 137.81 34.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.7 t -120.3 130.16 54.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.843 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -101.63 143.16 31.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.086 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -71.96 -18.54 61.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 45.1 m -131.35 150.81 77.49 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.67 0.748 . . . . 0.0 110.842 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.508 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 53.3 Cg_endo -69.85 -30.19 22.27 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.7 2.266 . . . . 0.0 112.306 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -70.99 -26.97 63.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -78.35 -46.79 19.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.43 ' CD ' ' HA ' ' A' ' 75' ' ' HIS . 11.2 tt0 -45.37 -66.75 0.36 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 99' ' ' ALA . 22.9 mm-40 -50.94 -60.94 2.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.429 ' HB1' ' NZ ' ' A' ' 13' ' ' LYS . . . -38.07 -42.98 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 0.521 ' CE2' ' HE2' ' A' ' 13' ' ' LYS . 42.2 m95 -70.61 -55.56 8.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.424 HD11 ' HB3' ' A' ' 77' ' ' PHE . 72.1 mt -43.77 -29.13 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.125 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -90.63 -55.12 3.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -49.48 -53.12 24.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.098 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.724 ' SD ' HG11 ' A' ' 62' ' ' VAL . 3.9 ptm -80.75 -35.55 33.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.428 ' N ' ' HG2' ' A' ' 104' ' ' MET . . . -52.31 -53.03 33.39 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.46 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.488 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 8.8 pt-20 -50.96 -49.49 59.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.909 0.385 . . . . 0.0 110.9 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.488 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -47.25 -25.98 1.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.098 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -86.99 -35.07 19.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.082 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.886 -179.898 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 97.1 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.915 0.388 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 71.8 m -91.18 -44.03 9.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.527 ' HE2' ' CE2' ' A' ' 100' ' ' TRP . 31.5 tttt -157.88 154.26 27.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -160.2 135.24 7.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.112 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.436 ' HA2' ' CZ3' ' A' ' 32' ' ' TRP . . . -176.16 166.26 37.26 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.463 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.58 ' CE3' ' HE2' ' A' ' 30' ' ' LYS . 93.1 m95 -78.65 118.38 20.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.791 0.329 . . . . 0.0 110.923 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.2 mt -127.29 161.77 27.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -104.69 119.93 40.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.4 tttt -103.02 128.46 49.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -57.37 144.83 34.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.112 179.918 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.802 0.334 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 40.7 m95 -87.44 134.07 33.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -117.16 147.13 42.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.926 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.58 ' HE2' ' CE3' ' A' ' 16' ' ' TRP . 25.3 tttt -89.89 133.66 34.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.4 ' NE ' ' HA ' ' A' ' 44' ' ' LYS . 1.6 tpm_? -150.74 154.09 36.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.436 ' CZ3' ' HA2' ' A' ' 15' ' ' GLY . 52.7 t-105 -79.31 115.47 18.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.951 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -107.98 132.37 53.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.841 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 62.4 t -130.94 111.71 20.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.109 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.515 HD12 ' O ' ' A' ' 39' ' ' CYS . 22.2 tp -76.85 143.63 39.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.878 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.72 HG22 ' H ' ' A' ' 37' ' ' ASP . 5.4 p -126.88 174.85 9.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.121 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.72 ' H ' HG22 ' A' ' 36' ' ' VAL . 1.0 OUTLIER -29.25 -75.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.919 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.405 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 6.3 mtm180 -128.18 50.77 2.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.619 ' C ' HG12 ' A' ' 36' ' ' VAL . 1.5 m -170.78 178.78 3.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 50.1 tp -147.42 112.54 5.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.598 ' HE1' HG11 ' A' ' 36' ' ' VAL . 51.6 m-85 -107.49 145.69 32.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.437 ' CE1' ' HB2' ' A' ' 52' ' ' LEU . 53.1 p90 -129.59 155.15 46.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.529 ' CD1' ' N ' ' A' ' 43' ' ' TYR . 0.3 OUTLIER -139.79 156.46 46.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.891 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.4 ' HA ' ' NE ' ' A' ' 31' ' ' ARG . 4.5 mtpm? -47.31 -45.91 24.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -145.15 178.06 8.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -48.79 -37.89 20.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.854 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -39.01 -36.42 0.28 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.471 ' HA ' ' CG ' ' A' ' 43' ' ' TYR . 10.6 pt-20 34.41 46.73 0.18 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -75.83 -41.49 52.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.5 p -128.92 122.45 30.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.469 HG12 ' CE2' ' A' ' 43' ' ' TYR . 72.3 mt -67.09 131.51 32.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.181 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.437 ' HB2' ' CE1' ' A' ' 42' ' ' TYR . 70.2 mt -88.97 -44.15 10.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -160.22 151.62 22.26 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.511 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 59.4 p -116.51 137.21 52.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.864 0.364 . . . . 0.0 110.849 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.414 ' HA ' ' HD2' ' A' ' 56' ' ' PRO . 19.0 mt -114.29 108.53 50.02 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.605 0.717 . . . . 0.0 111.129 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.509 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 53.7 Cg_endo -69.74 96.79 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.715 2.277 . . . . 0.0 112.321 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.629 HD23 ' CG ' ' A' ' 60' ' ' PHE . 58.5 mt -84.76 50.72 1.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.2 tp -68.3 -60.69 2.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 73.3 m -132.32 42.78 3.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.812 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.668 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 3.5 m-85 -68.4 144.0 54.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.477 ' O ' ' C ' ' A' ' 62' ' ' VAL . 3.4 ptm85 -84.31 25.04 0.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.87 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.477 ' C ' ' O ' ' A' ' 61' ' ' ARG . 24.0 t -31.46 113.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.178 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -176.24 153.15 1.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -39.79 137.48 0.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.124 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 25.9 m -55.43 152.41 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -80.23 161.4 65.35 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.608 0.718 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 -6.58 18.94 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.702 2.268 . . . . 0.0 112.352 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 57.6 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 -179.854 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 75' ' ' HIS . 23.5 mtpp . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.783 0.325 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.563 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 2.2 m-70 38.1 42.87 0.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.847 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 89' ' ' PHE . 57.0 m -109.19 139.49 44.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.508 ' CD1' ' N ' ' A' ' 77' ' ' PHE . 1.0 OUTLIER -126.97 159.59 33.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 29.4 pttt -122.46 142.77 50.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.944 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.668 ' HB1' ' HD2' ' A' ' 60' ' ' PHE . . . -131.87 110.68 10.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.115 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.459 ' CB ' ' HA ' ' A' ' 86' ' ' THR . 2.2 pt-20 -137.02 141.04 42.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.476 ' HB2' ' CE1' ' A' ' 60' ' ' PHE . 25.1 t-80 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.482 ' HG2' ' N ' ' A' ' 86' ' ' THR . 39.6 ttt180 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.914 0.388 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.482 ' N ' ' HG2' ' A' ' 85' ' ' ARG . 4.4 m -104.54 139.29 39.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -127.44 145.36 50.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -122.73 121.38 36.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.846 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.515 ' O ' HG23 ' A' ' 76' ' ' THR . 64.4 m-85 -120.42 135.01 55.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.1 t -111.99 141.53 45.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.817 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -118.06 124.66 48.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.151 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -49.32 -41.11 37.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 65.3 m -114.74 153.6 46.86 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.705 0.764 . . . . 0.0 110.828 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.563 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 54.2 Cg_endo -69.72 -18.6 37.09 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.662 2.242 . . . . 0.0 112.362 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -74.37 -41.56 60.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -66.93 -41.72 86.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.434 ' CD ' ' HA ' ' A' ' 75' ' ' HIS . 14.2 tt0 -51.31 -58.68 5.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.43 ' HA ' HD12 ' A' ' 101' ' ' ILE . 31.4 mm-40 -61.08 -51.54 68.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -46.57 -49.76 18.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.05 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 0.527 ' CE2' ' HE2' ' A' ' 13' ' ' LYS . 47.2 m95 -62.66 -56.85 13.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ILE . . . . . 0.43 HD12 ' HA ' ' A' ' 98' ' ' GLU . 61.2 mt -42.19 -32.46 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.133 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -90.01 -42.14 11.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.939 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.401 ' CB ' ' HD3' ' A' ' 13' ' ' LYS . . . -55.98 -64.55 0.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.535 ' HB2' HD13 ' A' ' 57' ' ' LEU . 11.4 ptp -75.32 -30.25 60.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -54.55 -53.35 39.24 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.433 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 4.2 pt-20 -49.02 -44.68 41.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.843 0.354 . . . . 0.0 110.886 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.433 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -54.38 -27.62 37.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.123 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -81.28 -40.54 23.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.074 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 13.1 mtp180 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.872 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.7 p . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.901 0.381 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.8 m -96.09 -50.62 4.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 43.4 tttp -151.95 144.2 23.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.563 ' HB2' HG13 ' A' ' 34' ' ' VAL . . . -149.83 127.91 11.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.125 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.434 ' HA2' ' CZ3' ' A' ' 32' ' ' TRP . . . -167.52 162.51 36.3 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.453 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -73.64 110.63 8.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.839 0.352 . . . . 0.0 110.95 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.417 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 12.6 mt -117.78 160.74 20.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.509 ' CZ ' ' HD2' ' A' ' 30' ' ' LYS . 17.6 m-85 -105.81 114.36 28.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.1 tttm -91.63 115.45 28.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -48.15 154.12 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.056 179.952 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.8 pt20 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.775 0.322 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 36.7 m95 -104.83 144.73 31.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -116.0 118.51 33.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.509 ' HD2' ' CZ ' ' A' ' 18' ' ' PHE . 63.8 tttt -65.19 142.09 58.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -164.78 145.37 7.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.434 ' CZ3' ' HA2' ' A' ' 15' ' ' GLY . 64.6 t-105 -71.09 117.96 13.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.417 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 28.5 m-85 -109.42 137.97 46.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.563 HG13 ' HB2' ' A' ' 14' ' ' ALA . 44.4 t -137.46 107.5 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.413 HD12 ' O ' ' A' ' 39' ' ' CYS . 5.7 tp -75.92 137.8 40.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.752 HG22 ' H ' ' A' ' 37' ' ' ASP . 1.1 p -116.39 -175.49 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.153 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.752 ' H ' HG22 ' A' ' 36' ' ' VAL . 4.3 m-20 -35.77 -73.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -129.01 53.63 1.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.413 ' O ' HD12 ' A' ' 35' ' ' LEU . 1.6 t -175.22 177.92 1.8 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 29.2 tp -144.24 122.51 12.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.949 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.41 ' CE1' ' HB3' ' A' ' 54' ' ' SER . 88.3 m-85 -114.3 147.24 39.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 43.2 p90 -129.85 144.41 51.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.516 ' CE2' HG12 ' A' ' 51' ' ' ILE . 1.3 m-85 -131.69 156.71 45.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.658 ' HG3' HD11 ' A' ' 52' ' ' LEU . 34.2 mtpt -50.08 -36.9 31.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.5 ' OD1' ' N ' ' A' ' 45' ' ' ASP . 2.0 p30 -152.41 -176.97 5.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 47' ' ' LYS . 5.4 pt-20 -62.06 -35.2 77.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.4 ' N ' ' HG3' ' A' ' 46' ' ' GLU . 26.5 mtpt -43.58 -39.11 3.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.404 ' HG2' ' CD1' ' A' ' 43' ' ' TYR . 14.2 mt-10 57.75 48.11 14.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -57.19 -51.59 68.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 21.2 t -148.53 145.94 28.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.516 HG12 ' CE2' ' A' ' 43' ' ' TYR . 77.4 mt -77.1 126.4 37.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.123 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.658 HD11 ' HG3' ' A' ' 44' ' ' LYS . 44.2 mt -90.7 -47.82 7.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -150.56 153.15 24.86 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.461 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.41 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 74.1 p -127.53 128.16 45.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.802 0.334 . . . . 0.0 110.876 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 22.4 mt -98.07 117.81 64.51 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.593 0.711 . . . . 0.0 111.166 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 119.73 6.63 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.692 2.261 . . . . 0.0 112.308 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 83.3 mt -116.88 57.28 0.79 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.4 tp -77.46 -69.63 0.52 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 t -126.42 31.32 5.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.648 ' CE1' ' ND1' ' A' ' 81' ' ' HIS . 6.3 m-85 -66.14 177.18 1.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.929 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 80' ' ' GLU . 65.8 ttt180 -127.55 103.75 7.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 25.5 t -100.43 129.86 50.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -173.58 163.16 4.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.099 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -53.27 125.8 18.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.109 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 20.3 m -46.54 156.7 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.142 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.459 ' CD ' ' HD2' ' A' ' 67' ' ' PRO . 2.3 mm100 -83.29 161.67 56.43 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.626 0.727 . . . . 0.0 110.883 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.459 ' HD2' ' CD ' ' A' ' 66' ' ' GLN . 54.2 Cg_endo -69.72 -7.7 21.71 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.667 2.245 . . . . 0.0 112.386 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 74.2 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.881 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.0 mttm . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.831 0.348 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.55 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 2.0 m-70 41.75 47.7 3.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.846 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.522 HG23 ' O ' ' A' ' 89' ' ' PHE . 21.0 m -124.28 142.35 51.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.169 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.512 ' CD1' ' N ' ' A' ' 77' ' ' PHE . 0.7 OUTLIER -130.31 159.14 37.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 36.9 pttt -126.07 150.09 48.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -115.44 103.3 10.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -107.93 140.07 41.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.648 ' ND1' ' CE1' ' A' ' 60' ' ' PHE . 9.3 t-160 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.491 ' HD2' ' CZ ' ' A' ' 87' ' ' TYR . 10.3 ptp180 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.907 0.384 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.467 ' N ' ' HG3' ' A' ' 85' ' ' ARG . 95.5 m -135.75 123.07 21.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.491 ' CZ ' ' HD2' ' A' ' 85' ' ' ARG . 74.0 m-85 -94.43 171.72 8.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.459 ' CD1' ' O ' ' A' ' 87' ' ' TYR . 30.2 m-85 -147.33 136.44 22.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.834 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.522 ' O ' HG23 ' A' ' 76' ' ' THR . 24.5 m-85 -137.81 137.51 38.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' SER . . . . . 0.455 ' HA ' HG23 ' A' ' 76' ' ' THR . 12.0 t -111.92 139.58 47.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.83 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -110.57 126.51 54.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.135 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -53.06 -40.41 63.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 69.2 m -117.24 153.6 49.95 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.659 0.742 . . . . 0.0 110.846 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.55 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 54.0 Cg_endo -69.76 -23.83 30.37 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.656 2.237 . . . . 0.0 112.367 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -67.91 -34.93 77.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 97' ' ' GLN . 4.1 mm-40 -77.34 -49.03 15.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 96' ' ' GLU . 13.9 tt0 -36.08 -53.31 0.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -68.78 -46.65 68.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -46.8 -47.17 21.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.103 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 69.2 m95 -68.61 -57.01 6.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 71.5 mt -41.04 -31.03 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.094 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -91.19 -39.28 12.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.87 -62.96 1.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.444 ' HG3' ' N ' ' A' ' 105' ' ' GLY . 6.6 ptp -72.01 -30.02 64.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.444 ' N ' ' HG3' ' A' ' 104' ' ' MET . . . -63.88 -51.41 53.77 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.487 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.416 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 6.0 pt-20 -51.55 -43.53 62.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.855 0.359 . . . . 0.0 110.898 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.416 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -53.81 -32.25 51.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.125 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -82.88 -37.5 24.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.079 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 28.9 mtt85 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.921 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 86.4 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.936 0.398 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 96.7 m -87.66 -54.62 4.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.132 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' ' 35' ' ' LEU . 15.5 tttm -154.7 146.47 23.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -152.24 127.5 9.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.063 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.501 ' HA2' ' CZ3' ' A' ' 32' ' ' TRP . . . -162.42 165.93 36.32 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.446 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.483 ' CD1' ' CZ3' ' A' ' 32' ' ' TRP . 88.7 m95 -78.19 112.03 14.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.776 0.322 . . . . 0.0 110.93 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.42 HD11 ' CE2' ' A' ' 100' ' ' TRP . 31.8 mt -124.94 155.51 39.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.461 ' CE2' ' HB2' ' A' ' 30' ' ' LYS . 4.4 m-85 -101.14 131.54 47.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.3 tttm -107.37 119.72 40.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -60.37 111.82 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.055 179.957 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.787 0.327 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 77.9 m95 -121.77 129.92 53.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -105.85 122.75 46.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.487 ' O ' ' NE ' ' A' ' 31' ' ' ARG . 51.4 tttt -81.87 115.0 20.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.937 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.487 ' NE ' ' O ' ' A' ' 30' ' ' LYS . 7.1 mmp_? -128.69 -176.57 3.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.834 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.501 ' CZ3' ' HA2' ' A' ' 15' ' ' GLY . 72.2 t-105 -111.06 113.81 26.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -100.44 138.05 38.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 88.1 t -131.64 96.67 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.106 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.501 HD12 ' O ' ' A' ' 39' ' ' CYS . 21.5 tp -63.92 120.92 12.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.723 HG22 ' H ' ' A' ' 37' ' ' ASP . 0.9 OUTLIER -92.75 -173.51 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.878 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.723 ' H ' HG22 ' A' ' 36' ' ' VAL . 6.7 t70 -30.4 -63.33 0.14 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.6 mtm-85 -131.14 -31.56 1.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.637 ' O ' HG12 ' A' ' 36' ' ' VAL . 61.6 m -85.73 175.51 8.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 39.8 tp -133.44 143.21 48.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -136.26 168.27 19.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.637 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 47.7 p90 -141.48 165.29 27.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.637 ' CD1' ' C ' ' A' ' 42' ' ' TYR . 0.3 OUTLIER -151.24 154.53 36.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.933 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.441 ' O ' ' CG ' ' A' ' 45' ' ' ASP . 4.3 tppt? -48.93 -40.2 29.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.95 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.441 ' CG ' ' O ' ' A' ' 44' ' ' LYS . 1.1 m-20 -163.78 178.22 8.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 47' ' ' LYS . 11.0 mm-40 -44.57 -33.39 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 46' ' ' GLU . 28.5 mtmm -35.38 -43.63 0.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 46.47 30.99 1.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -65.76 -20.43 66.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.5 t -170.17 150.05 3.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.568 HG12 ' CE2' ' A' ' 43' ' ' TYR . 85.4 mt -87.92 121.27 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.165 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.8 mp -77.24 -30.98 54.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.493 ' O ' ' CG2' ' A' ' 51' ' ' ILE . . . -159.05 178.28 35.28 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.6 t -136.49 146.59 46.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.82 0.343 . . . . 0.0 110.82 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.431 ' HA ' ' HD2' ' A' ' 56' ' ' PRO . 19.3 mt -136.48 105.07 9.22 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.634 0.73 . . . . 0.0 111.139 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PRO . . . . . 0.596 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 53.6 Cg_endo -69.77 123.77 10.42 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.619 2.212 . . . . 0.0 112.365 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.3 mt -104.08 51.99 0.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 25.8 tp -108.13 109.26 20.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.593 ' O ' ' CD2' ' A' ' 81' ' ' HIS . 3.3 t 73.46 25.0 2.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.596 ' CE1' ' O ' ' A' ' 56' ' ' PRO . 8.3 m-85 -86.38 142.19 28.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -98.43 91.1 5.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.621 HG21 ' HG3' ' A' ' 104' ' ' MET . 13.8 t -94.86 123.76 47.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 64' ' ' ALA . . . -166.01 146.88 6.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 63' ' ' ALA . . . -35.75 131.38 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.115 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.5 m -54.42 162.96 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -101.55 159.75 28.53 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.587 0.708 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -10.38 28.44 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.705 2.27 . . . . 0.0 112.361 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 34.3 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.841 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.79 0.329 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.563 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 3.3 m-70 42.13 53.52 4.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.439 HG23 ' O ' ' A' ' 89' ' ' PHE . 43.2 m -124.71 147.06 48.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.574 ' CE2' ' HB2' ' A' ' 89' ' ' PHE . 3.5 p90 -132.31 153.8 50.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.593 ' HB3' ' CD2' ' A' ' 88' ' ' PHE . 32.4 pttt -121.68 142.14 50.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -122.11 103.99 9.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.091 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.716 ' HB2' HG23 ' A' ' 86' ' ' THR . 1.4 tm-20 -127.1 148.8 50.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 59' ' ' SER . 12.2 t-160 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.836 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.492 ' HB3' ' CE1' ' A' ' 87' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.87 0.367 . . . . 0.0 110.883 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.716 HG23 ' HB2' ' A' ' 80' ' ' GLU . 62.3 m -106.12 104.88 14.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.153 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.492 ' CE1' ' HB3' ' A' ' 85' ' ' ARG . 1.8 m-85 -95.02 163.66 13.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.949 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.593 ' CD2' ' HB3' ' A' ' 78' ' ' LYS . 82.3 m-85 -139.11 154.41 48.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.574 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 55.1 m-85 -153.06 123.88 7.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 11.4 t -103.95 138.23 40.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -108.68 132.48 53.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.104 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -62.7 -33.92 76.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 38.5 m -116.68 148.69 42.49 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.67 0.747 . . . . 0.0 110.887 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' PRO . . . . . 0.563 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 53.7 Cg_endo -69.78 -22.62 31.74 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.711 2.274 . . . . 0.0 112.312 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -73.52 -24.66 60.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -82.71 -50.11 9.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLN . . . . . 0.415 ' CD ' ' HA ' ' A' ' 75' ' ' HIS . 18.8 tt0 -41.65 -63.43 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -55.75 -50.1 71.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -48.15 -42.24 28.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' TRP . . . . . 0.471 ' O ' ' N ' ' A' ' 102' ' ' GLN . 71.6 m95 -70.07 -61.52 1.75 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 98.5 mt -37.23 -29.57 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.111 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 100' ' ' TRP . 27.8 mt-30 -91.27 -48.71 6.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.69 -61.82 2.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.083 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.621 ' HG3' HG21 ' A' ' 62' ' ' VAL . 5.3 ptm -71.49 -32.18 67.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -61.06 -51.49 58.11 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.536 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.421 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 6.0 pt-20 -55.93 -43.57 77.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.846 0.355 . . . . 0.0 110.855 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.421 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -56.55 -31.72 64.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ALA . . . . . 0.528 ' HB1' ' H ' ' A' ' 60' ' ' PHE . . . -79.63 -39.08 32.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.083 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.899 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.5 t -141.57 144.29 34.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.862 0.363 . . . . 0.0 110.849 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.3 m -111.03 177.23 4.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.833 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.29 116.91 0.74 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.502 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.6 t -100.05 121.6 41.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.887 0.375 . . . . 0.0 110.869 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 t -131.72 157.5 43.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.812 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -42.08 -89.38 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.478 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -88.91 137.83 31.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.845 0.355 . . . . 0.0 110.928 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -93.71 146.3 31.5 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.632 0.73 . . . . 0.0 111.043 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 161.6 45.29 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.69 2.26 . . . . 0.0 112.339 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 54.6 t -72.72 142.26 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.0 m -92.9 -51.43 5.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.158 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 35' ' ' LEU . 45.7 tttp -155.0 142.32 19.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -149.15 126.85 11.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -169.18 166.29 39.58 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.52 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.524 ' CE3' ' HD3' ' A' ' 30' ' ' LYS . 98.8 m95 -74.27 124.72 26.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.818 0.342 . . . . 0.0 110.903 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.567 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 28.5 mt -136.87 143.74 43.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.513 ' CZ ' ' HB2' ' A' ' 30' ' ' LYS . 4.7 m-85 -95.25 128.35 42.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.827 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -111.52 118.73 36.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -39.42 145.22 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.406 ' HB1' ' HA3' ' A' ' 24' ' ' GLY . . . -64.8 98.24 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.1 t -49.34 -44.09 44.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.9 t -134.03 45.08 2.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.406 ' HA3' ' HB1' ' A' ' 21' ' ' ALA . . . -121.55 -148.83 7.95 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.468 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.528 ' O ' HG23 ' A' ' 25' ' ' VAL . 18.8 m -109.58 74.05 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.867 0.365 . . . . 0.0 111.159 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 25' ' ' VAL . 0.7 OUTLIER 37.24 35.55 0.05 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -99.29 172.52 7.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 67.0 m95 -127.27 123.16 35.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -113.01 142.23 45.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.524 ' HD3' ' CE3' ' A' ' 16' ' ' TRP . 0.6 OUTLIER -80.03 147.62 31.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.89 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -158.83 146.05 17.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.515 ' CD1' ' HA ' ' A' ' 46' ' ' GLU . 51.4 t-105 -78.83 121.1 24.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.567 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 72.8 m-85 -114.49 138.86 50.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 98.4 t -132.2 94.96 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.096 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 13' ' ' LYS . 33.3 tp -57.97 130.51 46.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.725 HG22 ' H ' ' A' ' 37' ' ' ASP . 0.9 OUTLIER -124.22 -175.07 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.132 179.866 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.725 ' H ' HG22 ' A' ' 36' ' ' VAL . 1.4 m-20 -60.47 116.49 4.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 46.1 mtt85 41.46 39.95 1.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.489 ' HB2' ' CG1' ' A' ' 36' ' ' VAL . 1.7 m -167.98 163.53 13.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.6 tp -140.43 117.41 11.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.949 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -106.39 168.33 9.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.523 ' CE1' ' HB2' ' A' ' 52' ' ' LEU . 13.0 p90 -155.62 149.75 25.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.564 ' CD1' ' N ' ' A' ' 43' ' ' TYR . 0.3 OUTLIER -132.98 166.79 21.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 -179.907 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.647 ' N ' HD11 ' A' ' 52' ' ' LEU . 23.4 tptt -54.48 -39.13 67.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.9 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.469 ' OD1' ' N ' ' A' ' 45' ' ' ASP . 13.9 p-10 -148.76 -179.9 7.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.515 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 2.8 pp20? -68.09 -13.96 62.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -56.11 -26.74 51.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 59.01 44.25 16.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.845 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -64.27 -69.17 0.3 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.0 m -142.42 136.06 29.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.433 HG12 ' CE2' ' A' ' 43' ' ' TYR . 94.1 mt -62.29 121.2 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.165 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.647 HD11 ' N ' ' A' ' 44' ' ' LYS . 6.1 mt -84.44 -51.11 7.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.425 ' CA ' ' CE2' ' A' ' 42' ' ' TYR . . . -147.39 155.19 26.39 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.487 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.9 t -121.25 154.9 35.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.819 0.343 . . . . 0.0 110.921 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 11.8 mt -132.6 117.66 15.42 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.589 0.709 . . . . 0.0 111.141 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 131.9 22.21 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.716 2.278 . . . . 0.0 112.358 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 61.5 mt -117.27 54.01 0.9 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 52.0 tp -109.73 115.8 30.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.0 m 60.93 25.37 15.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -80.0 164.18 23.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 58.7 ttm-85 -117.91 93.3 4.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.543 HG11 ' CG ' ' A' ' 104' ' ' MET . 22.1 t -98.29 127.92 50.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -173.74 164.58 4.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.69 138.08 8.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.097 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.518 HG21 HG21 ' A' ' 71' ' ' ILE . 5.3 m -58.38 172.52 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.16 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -115.9 159.09 40.5 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.632 0.73 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -10.81 29.47 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.703 2.269 . . . . 0.0 112.336 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.5 m -98.2 3.93 48.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -99.16 14.72 28.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 47.13 43.85 14.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.518 HG21 HG21 ' A' ' 65' ' ' VAL . 33.2 mm -102.04 102.93 14.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 67.2 m -99.52 58.67 1.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 27.3 mtp85 -149.01 131.38 15.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.6 148.16 39.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.558 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 2.3 m-70 61.67 54.38 2.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.822 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.9 m -124.42 147.53 48.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.168 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.5 ' CD1' ' N ' ' A' ' 77' ' ' PHE . 1.1 p90 -137.9 159.27 42.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.532 ' HB3' ' CE1' ' A' ' 88' ' ' PHE . 30.6 pttt -125.56 146.17 49.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -132.0 110.82 11.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -136.66 151.23 49.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.489 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 13.9 t-160 -89.92 7.97 34.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 81' ' ' HIS . . . 71.26 40.85 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.092 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 157.62 -47.25 0.46 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.483 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.494 HG12 ' N ' ' A' ' 85' ' ' ARG . 22.2 t -60.03 -74.92 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.843 0.354 . . . . 0.0 111.113 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.494 ' N ' HG12 ' A' ' 84' ' ' VAL . 0.3 OUTLIER -154.89 156.38 36.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.869 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 37.0 m -114.77 101.71 9.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -89.05 155.6 19.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.532 ' CE1' ' HB3' ' A' ' 78' ' ' LYS . 57.1 m-85 -137.08 140.51 42.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.911 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.477 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . 31.6 m-85 -141.21 136.15 31.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 30.4 t -117.88 117.59 29.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -85.1 132.33 34.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.101 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -60.1 -26.87 66.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.0 m -126.75 153.24 75.81 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.678 0.752 . . . . 0.0 110.837 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.558 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 53.8 Cg_endo -69.79 -38.23 8.01 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.645 2.23 . . . . 0.0 112.304 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -62.04 -26.52 68.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 97' ' ' GLN . 17.3 mt-10 -79.95 -56.8 4.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 96' ' ' GLU . 13.2 tt0 -35.43 -61.81 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -52.26 -56.77 12.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -43.01 -47.72 5.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.031 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.48 ' CE2' HD11 ' A' ' 17' ' ' LEU . 67.0 m95 -63.57 -61.14 2.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.942 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 75.8 mt -38.72 -35.52 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.124 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -86.33 -42.88 13.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.45 -63.76 1.19 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.092 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.543 ' CG ' HG11 ' A' ' 62' ' ' VAL . 13.6 ptp -72.69 -18.6 61.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -75.38 -47.53 12.49 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.471 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.535 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 5.3 pt-20 -56.81 -50.0 73.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.837 0.351 . . . . 0.0 110.86 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.535 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -54.41 -25.52 25.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -88.18 -33.66 18.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.081 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 16.4 ptt85 -83.43 155.09 23.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 61.4 t -132.81 111.9 17.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.2 163.8 26.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 92.4 p 41.83 47.2 3.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.81 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -125.39 156.74 19.32 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.523 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -179.62 3.06 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.7 2.267 . . . . 0.0 112.299 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.0 t 43.92 42.59 4.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 13.6 t -154.08 133.35 12.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.842 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.468 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.9 m -67.31 143.47 56.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.879 0.371 . . . . 0.0 110.865 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.1 m -122.68 42.09 3.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.71 177.04 20.01 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.2 p -122.23 166.97 13.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.913 0.387 . . . . 0.0 110.824 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.1 p -88.35 164.68 15.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.807 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.42 156.41 7.6 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.475 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -89.94 133.4 34.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.851 0.358 . . . . 0.0 110.886 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.53 ' HB1' ' HD2' ' A' ' 10' ' ' PRO . . . -125.54 158.67 63.84 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.609 0.719 . . . . 0.0 111.054 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.53 ' HD2' ' HB1' ' A' ' 9' ' ' ALA . 53.8 Cg_endo -69.78 162.6 41.47 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.625 2.216 . . . . 0.0 112.347 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 54.6 t -94.6 133.01 37.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.3 m -86.81 -53.3 5.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.13 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.407 ' HE3' ' NE1' ' A' ' 100' ' ' TRP . 48.2 tttp -152.6 147.72 26.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -151.07 132.75 14.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.09 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.411 ' HA2' ' CZ3' ' A' ' 32' ' ' TRP . . . -172.15 172.15 44.62 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.511 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -81.37 111.08 17.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.802 0.334 . . . . 0.0 110.915 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.57 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 22.4 mt -121.37 141.62 50.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.508 ' CE2' ' HB2' ' A' ' 30' ' ' LYS . 20.1 m-85 -88.74 116.27 26.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.5 tttm -92.4 123.33 35.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -66.05 141.39 58.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.42 134.63 53.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.086 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.9 p -104.42 25.3 10.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.829 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.7 m -174.49 113.18 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.49 -162.67 15.71 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.482 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.524 HG22 ' H ' ' A' ' 26' ' ' LYS . 1.2 p -49.5 170.78 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 0.0 111.129 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.524 ' H ' HG22 ' A' ' 25' ' ' VAL . 1.1 mtmp? -86.81 82.17 7.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -120.17 163.1 18.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 27.7 m95 -124.66 142.77 51.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -117.96 104.02 10.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.508 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . 31.4 tttt -62.33 124.55 21.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.473 ' CD ' ' HA ' ' A' ' 44' ' ' LYS . 5.3 mmt85 -142.28 179.15 7.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.411 ' CZ3' ' HA2' ' A' ' 15' ' ' GLY . 74.5 t-105 -99.45 113.9 26.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.57 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 32.2 m-85 -100.44 139.83 35.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 61.6 t -133.2 96.49 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 30.9 tp -59.94 115.77 3.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.716 HG22 ' H ' ' A' ' 37' ' ' ASP . 1.4 p -106.43 -179.65 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.716 ' H ' HG22 ' A' ' 36' ' ' VAL . 2.1 m-20 -57.09 116.96 3.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.3 mtm180 42.43 37.09 0.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.564 ' C ' HG12 ' A' ' 36' ' ' VAL . 1.8 m -168.53 173.59 7.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.4 tp -150.37 130.73 13.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.962 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.45 ' CE1' ' HB2' ' A' ' 54' ' ' SER . 97.8 m-85 -125.49 148.47 48.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.653 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 55.5 p90 -121.48 167.29 13.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.653 ' CD1' ' C ' ' A' ' 42' ' ' TYR . 0.2 OUTLIER -156.18 174.75 14.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.927 -179.912 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.473 ' HA ' ' CD ' ' A' ' 31' ' ' ARG . 45.5 mttt -57.63 -49.0 77.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -150.36 -175.12 4.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 47' ' ' LYS . 7.4 pt-20 -54.19 -44.49 71.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 46' ' ' GLU . 21.6 mmmt -34.62 -38.52 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 59.29 49.55 8.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -53.69 -60.51 3.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.836 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 77.6 p -148.28 149.16 31.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.6 mt -70.01 138.44 22.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.116 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.59 ' HB2' ' CE2' ' A' ' 42' ' ' TYR . 55.1 mt -106.31 -32.5 8.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.513 ' HA3' ' CE1' ' A' ' 42' ' ' TYR . . . -157.76 153.48 24.68 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.491 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.45 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 16.2 p -112.46 135.62 52.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.836 0.35 . . . . 0.0 110.83 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.407 ' HA ' ' HD2' ' A' ' 56' ' ' PRO . 57.2 mt -124.13 105.1 31.8 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.594 0.711 . . . . 0.0 111.133 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 55' ' ' ILE . 53.4 Cg_endo -69.79 139.53 40.35 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.704 2.269 . . . . 0.0 112.338 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 19.8 mt -127.93 45.54 2.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.3 tp -65.81 -63.9 0.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.5 t -129.7 25.92 5.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -66.53 113.9 5.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -71.94 99.55 2.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.57 HG11 ' SD ' ' A' ' 104' ' ' MET . 41.1 t -94.34 127.24 46.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -170.6 156.51 5.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.139 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -42.57 142.64 0.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.099 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.48 HG11 HG13 ' A' ' 71' ' ' ILE . 4.5 m -59.1 176.0 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.105 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -107.37 157.0 36.71 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.587 0.708 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -8.18 22.95 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.699 2.266 . . . . 0.0 112.384 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 72.3 m -90.42 -21.93 21.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.822 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -74.98 -22.08 58.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.816 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.3 t30 56.35 47.93 18.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.859 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.48 HG13 HG11 ' A' ' 65' ' ' VAL . 25.9 mm -78.24 88.26 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 71' ' ' ILE . 15.2 t -36.75 -62.19 0.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.798 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 37.7 mtp85 -48.6 127.13 12.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.819 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp -79.15 172.47 13.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.521 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 4.2 m-70 46.92 51.16 13.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.839 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.418 HG21 HG21 ' A' ' 71' ' ' ILE . 11.3 m -115.01 152.66 32.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.174 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.555 ' CD1' ' N ' ' A' ' 77' ' ' PHE . 0.5 OUTLIER -136.94 159.92 40.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 44.6 pttt -123.97 150.16 45.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -123.36 106.97 11.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -105.61 152.85 22.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -127.41 -174.97 3.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.2 73.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 56.31 48.52 74.62 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.49 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 50.9 t -115.44 -68.81 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.833 0.349 . . . . 0.0 111.118 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -162.49 151.29 14.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.2 m -114.04 107.93 16.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.411 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 30.5 m-85 -89.95 171.52 9.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.411 ' CD1' ' O ' ' A' ' 87' ' ' TYR . 40.9 m-85 -148.06 125.89 11.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.87 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.513 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 51.2 m-85 -128.05 123.36 34.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.9 t -107.0 135.26 48.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.818 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -104.37 134.12 48.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.095 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -52.95 -44.51 67.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.3 m -112.81 159.13 35.58 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.662 0.744 . . . . 0.0 110.856 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.521 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 53.9 Cg_endo -69.79 -38.24 8.01 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.665 2.243 . . . . 0.0 112.335 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -59.33 -25.9 64.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -79.54 -55.5 4.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -40.84 -62.74 0.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.952 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -50.79 -56.11 13.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -45.56 -48.83 14.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.407 ' NE1' ' HE3' ' A' ' 13' ' ' LYS . 53.0 m95 -61.89 -57.52 11.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 85.2 mt -39.83 -37.25 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -83.27 -61.19 1.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.906 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -42.44 -63.25 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.101 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.57 ' SD ' HG11 ' A' ' 62' ' ' VAL . 2.9 ptp -73.65 -19.09 60.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -66.79 -52.13 35.92 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.469 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.496 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 7.7 pt-20 -55.16 -49.39 71.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.837 0.351 . . . . 0.0 110.876 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.496 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -46.37 -32.15 3.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -80.43 -35.4 35.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.091 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 71.0 mtt180 -63.71 151.09 42.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 73.6 t -141.21 118.58 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.188 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 -75.36 152.38 38.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 9.9 t -87.27 148.21 25.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.431 ' N ' ' HD2' ' A' ' 114' ' ' PRO . . . -179.92 -61.86 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.431 ' HD2' ' N ' ' A' ' 113' ' ' GLY . 54.0 Cg_endo -69.76 -23.26 31.02 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.678 2.252 . . . . 0.0 112.352 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 77.5 p -146.66 162.88 37.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 64.4 m 58.33 43.6 19.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.38 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.5 -179.992 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 m -109.79 138.31 46.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.904 0.383 . . . . 0.0 110.827 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.6 p -112.8 129.21 56.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.868 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.11 87.38 0.32 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.468 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.5 t -59.11 150.32 25.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 0.0 110.905 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.6 p -88.2 -44.35 10.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 8' ' ' ASN . . . -105.56 98.93 1.49 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.496 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 7' ' ' GLY . 71.9 m-80 -36.28 107.8 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.831 0.348 . . . . 0.0 110.886 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -102.92 148.57 35.78 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.575 0.702 . . . . 0.0 111.108 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 179.78 3.43 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.685 2.257 . . . . 0.0 112.38 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 78.7 t -104.27 124.21 58.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 44.8 m -75.06 -59.69 2.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.122 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -148.56 156.14 42.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.517 ' HB1' HG22 ' A' ' 34' ' ' VAL . . . -158.37 130.92 7.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.406 ' HA2' ' CH2' ' A' ' 32' ' ' TRP . . . -168.59 163.71 37.41 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.44 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.571 ' CE3' ' HE2' ' A' ' 30' ' ' LYS . 90.4 m95 -74.38 119.65 18.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.807 0.337 . . . . 0.0 110.9 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.481 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 42.9 mt -130.47 160.79 33.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -108.8 114.62 28.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.6 tttm -88.79 125.12 34.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -70.37 120.01 15.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.45 144.68 20.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.072 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 65.0 p -124.44 172.71 8.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.9 t 45.94 37.44 3.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -179.75 -161.7 27.48 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.516 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.3 p -51.44 161.52 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 0.0 111.105 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 65.7 mttt -94.04 84.52 4.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -125.97 168.27 14.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 58.6 m95 -124.75 130.23 52.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -122.36 142.88 50.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.571 ' HE2' ' CE3' ' A' ' 16' ' ' TRP . 37.8 tttt -84.57 142.72 29.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.3 tpp180 -161.07 152.05 18.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.408 ' CZ3' ' CD1' ' A' ' 16' ' ' TRP . 39.4 t-105 -78.65 122.69 26.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.972 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.481 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 34.5 m-85 -114.25 141.81 47.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.517 HG22 ' HB1' ' A' ' 14' ' ' ALA . 84.0 t -140.0 106.43 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 34.7 tp -67.09 114.92 6.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.691 HG22 ' H ' ' A' ' 37' ' ' ASP . 0.6 OUTLIER -104.84 -174.02 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.845 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.691 ' H ' HG22 ' A' ' 36' ' ' VAL . 4.7 m-20 -53.75 118.18 3.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 37' ' ' ASP . 28.7 mtm-85 34.28 41.32 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.514 ' HB3' HG12 ' A' ' 36' ' ' VAL . 1.6 t -171.77 163.95 6.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 48.1 tp -134.64 139.05 45.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.409 ' CE1' ' HB2' ' A' ' 54' ' ' SER . 67.3 m-85 -128.43 152.46 48.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.889 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.584 ' CE1' ' HB2' ' A' ' 52' ' ' LEU . 46.5 p90 -129.96 144.31 51.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.513 ' CD1' ' N ' ' A' ' 43' ' ' TYR . 0.4 OUTLIER -133.3 155.18 49.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 -179.911 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.848 ' HG2' HD11 ' A' ' 52' ' ' LEU . 22.2 mttp -39.43 -48.77 2.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.414 ' HA ' ' CH2' ' A' ' 16' ' ' TRP . 17.3 p-10 -158.75 -178.92 7.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.857 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 47' ' ' LYS . 20.8 mt-10 -44.32 -45.7 8.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 46' ' ' GLU . 30.3 mtpt -35.56 -36.03 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.406 ' HG2' ' CD2' ' A' ' 43' ' ' TYR . 8.8 tt0 53.8 47.88 22.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -52.66 -59.96 3.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.0 t -151.48 151.44 31.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 95.7 mt -66.9 124.46 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.086 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.848 HD11 ' HG2' ' A' ' 44' ' ' LYS . 76.9 mt -89.33 -35.1 16.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.544 ' HA3' ' CE2' ' A' ' 42' ' ' TYR . . . -158.2 160.09 30.58 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.472 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.409 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 5.7 p -119.3 133.88 55.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.81 0.338 . . . . 0.0 110.839 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 52.3 mt -120.24 105.06 42.58 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.642 0.734 . . . . 0.0 111.114 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.598 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 53.6 Cg_endo -69.79 116.41 4.55 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.679 2.253 . . . . 0.0 112.339 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.417 ' CD1' ' HB2' ' A' ' 104' ' ' MET . 16.1 mt -106.03 40.46 1.58 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 13.4 tp -83.13 105.04 13.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 t 62.66 31.21 16.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.637 ' N ' ' HB1' ' A' ' 108' ' ' ALA . 5.4 m-85 -80.68 138.85 36.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.862 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -86.22 97.39 10.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.599 HG11 ' SD ' ' A' ' 104' ' ' MET . 15.3 t -101.95 131.4 50.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.121 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -171.64 165.49 6.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.075 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.03 130.87 48.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.839 HG22 ' O ' ' A' ' 76' ' ' THR . 11.2 m -53.74 174.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -119.78 160.45 42.44 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.57 0.7 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -16.51 37.79 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.707 2.272 . . . . 0.0 112.334 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.6 m -92.68 11.95 24.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.849 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -104.55 -1.06 27.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.825 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 33.0 m-20 64.51 33.04 11.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 31.0 mm -101.58 83.64 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.123 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.6 t -61.9 -28.42 69.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.824 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 28.2 mtp85 -56.99 128.44 36.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.2 mtpt -80.51 166.65 20.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.517 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 2.2 m-70 43.35 51.05 6.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.857 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.89 HG23 ' O ' ' A' ' 89' ' ' PHE . 87.1 m -121.15 137.96 54.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.468 ' CZ ' ' HB2' ' A' ' 89' ' ' PHE . 7.3 p90 -121.74 165.62 15.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.577 ' HB3' ' CD1' ' A' ' 88' ' ' PHE . 5.1 pttm -129.35 152.73 48.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -140.26 106.62 5.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -130.11 147.96 51.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.54 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 5.3 t-160 -84.09 6.98 20.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.816 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.54 ' HB3' ' O ' ' A' ' 81' ' ' HIS . . . 73.57 41.49 0.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.111 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 151.53 -53.66 0.48 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.497 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 40.2 t -52.64 -71.66 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.834 0.35 . . . . 0.0 111.131 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -160.01 146.81 16.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.479 HG22 ' CE2' ' A' ' 88' ' ' PHE . 47.8 m -108.94 125.29 51.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.192 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -106.78 161.11 14.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.577 ' CD1' ' HB3' ' A' ' 78' ' ' LYS . 86.3 m-85 -144.04 133.59 23.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.882 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.89 ' O ' HG23 ' A' ' 76' ' ' THR . 58.8 m-85 -133.37 141.08 47.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 28.1 t -118.54 123.68 45.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -92.71 144.49 25.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.113 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -70.59 -25.63 63.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.1 t -130.05 150.13 75.14 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.609 0.719 . . . . 0.0 110.909 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.517 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 54.3 Cg_endo -69.77 -10.1 27.74 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.638 2.225 . . . . 0.0 112.384 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -85.72 -25.41 26.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -83.23 -46.18 12.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -43.41 -62.72 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -53.26 -56.99 12.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -44.74 -46.96 10.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.098 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.433 ' CE2' HD11 ' A' ' 17' ' ' LEU . 61.5 m95 -62.18 -55.52 27.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 94.2 mt -45.44 -34.3 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.084 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -86.71 -39.02 16.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.17 -60.33 3.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.052 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.599 ' SD ' HG11 ' A' ' 62' ' ' VAL . 8.9 ptp -74.26 -28.52 61.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.891 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -59.8 -48.98 83.4 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.525 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.497 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 8.3 pt-20 -59.17 -47.84 83.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.903 0.382 . . . . 0.0 110.915 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.497 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -45.23 -32.85 2.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.063 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.637 ' HB1' ' N ' ' A' ' 60' ' ' PHE . . . -74.7 -43.35 55.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.116 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 15.7 mtp85 -57.8 157.88 6.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 13.1 p -124.89 146.83 29.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 63.4 47.02 4.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.3 m -138.74 136.26 35.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 107.72 -155.86 16.09 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.494 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -18.67 36.79 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.656 2.237 . . . . 0.0 112.377 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 19.9 m -72.61 123.18 22.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.826 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 57.9 p -88.57 8.67 27.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.843 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.459 -179.98 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.1 m -141.53 169.04 18.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.881 0.372 . . . . 0.0 110.842 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 m -160.39 159.91 31.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.32 -169.37 16.31 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.46 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.4 t -103.49 91.63 4.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.833 0.349 . . . . 0.0 110.868 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -52.01 -45.71 64.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.852 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.67 -67.04 0.23 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.48 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -137.55 147.79 45.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.86 0.362 . . . . 0.0 110.877 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -138.64 152.64 71.24 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.607 0.718 . . . . 0.0 111.096 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 164.31 34.96 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.682 2.255 . . . . 0.0 112.37 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 94.2 t -101.38 137.15 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.107 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.0 m -87.5 -55.7 3.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.435 ' HE3' ' CE2' ' A' ' 100' ' ' TRP . 61.4 tttp -151.97 150.36 29.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.422 ' HB1' HG22 ' A' ' 34' ' ' VAL . . . -152.55 131.65 12.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.138 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -172.75 164.86 37.11 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.481 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.486 ' CE3' ' HE3' ' A' ' 30' ' ' LYS . 91.6 m95 -72.99 113.25 9.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.802 0.334 . . . . 0.0 110.93 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.842 HD11 ' CE2' ' A' ' 100' ' ' TRP . 28.5 mt -126.63 137.42 53.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -86.09 122.34 29.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.9 tttm -94.92 117.98 31.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -38.57 152.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.538 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . -84.89 141.49 30.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 23' ' ' SER . 40.8 m -71.61 -177.75 1.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.83 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 22' ' ' SER . 93.1 p -37.39 100.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.878 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.5 -160.97 34.77 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.547 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.3 p -54.78 145.04 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.914 0.387 . . . . 0.0 111.135 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.0 mtpt -71.67 94.64 1.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.538 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 9.1 pt20 -151.9 157.32 41.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.884 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.443 ' CZ3' ' HB2' ' A' ' 90' ' ' SER . 31.2 m95 -116.56 134.25 55.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -106.21 140.04 39.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.486 ' HE3' ' CE3' ' A' ' 16' ' ' TRP . 26.2 tttp -83.6 132.14 34.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.951 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.1 tpp85 -150.67 143.29 24.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 49.4 t-105 -69.26 122.75 19.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.484 ' CD2' ' HB2' ' A' ' 17' ' ' LEU . 26.2 m-85 -115.89 141.28 48.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.895 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.422 HG22 ' HB1' ' A' ' 14' ' ' ALA . 98.7 t -140.46 105.79 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.135 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.495 HD12 ' O ' ' A' ' 39' ' ' CYS . 28.9 tp -68.3 126.11 28.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.732 HG22 ' H ' ' A' ' 37' ' ' ASP . 1.4 p -121.5 -178.61 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.732 ' H ' HG22 ' A' ' 36' ' ' VAL . 4.3 m-20 -52.46 115.23 1.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 19.7 mtm180 39.81 38.63 0.47 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.495 ' O ' HD12 ' A' ' 35' ' ' LEU . 1.8 m -165.17 173.83 10.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 29.9 tp -151.73 111.83 4.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.525 ' CE1' ' HB2' ' A' ' 54' ' ' SER . 83.4 m-85 -97.99 154.44 17.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 35.7 p90 -140.86 144.78 35.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.536 ' CE2' HG12 ' A' ' 51' ' ' ILE . 0.6 OUTLIER -130.66 161.06 32.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.913 -179.86 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.2 ttmt -52.82 -40.85 63.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.458 ' OD2' ' CG ' ' A' ' 47' ' ' LYS . 11.7 p-10 -156.05 -177.84 6.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -52.67 -39.55 61.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.46 ' CB ' ' OE2' ' A' ' 49' ' ' GLU . 6.6 mmmm -42.98 -28.11 0.24 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 47' ' ' LYS . 14.4 pt-20 34.89 47.59 0.27 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.46 ' OE2' ' CB ' ' A' ' 47' ' ' LYS . 41.5 mp0 -55.97 -51.65 66.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 53.2 p -148.42 138.06 22.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.536 HG12 ' CE2' ' A' ' 43' ' ' TYR . 80.9 mt -65.95 128.86 29.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.125 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.6 mt -93.23 -41.51 9.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -155.21 155.46 26.26 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.44 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.525 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 11.9 t -123.34 156.4 35.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.809 0.338 . . . . 0.0 110.859 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 25.9 mt -127.74 105.14 20.89 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.662 0.744 . . . . 0.0 111.119 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 107.44 1.85 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.698 2.265 . . . . 0.0 112.349 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 94.7 mt -100.06 57.05 0.96 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.2 tp -62.65 -68.72 0.31 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 56.0 p -131.72 32.11 4.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.836 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.589 ' CE2' ' HB2' ' A' ' 81' ' ' HIS . 8.5 m-85 -65.96 158.52 27.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -111.3 99.25 8.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.57 HG11 ' SD ' ' A' ' 104' ' ' MET . 17.2 t -94.24 127.86 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.15 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -169.2 174.41 6.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.069 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.16 133.93 56.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.557 HG12 ' HB3' ' A' ' 78' ' ' LYS . 17.4 m -61.31 161.87 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -99.96 156.91 34.77 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.639 0.733 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -0.03 6.33 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.671 2.247 . . . . 0.0 112.374 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 65.3 p -120.79 30.86 6.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -112.56 0.38 15.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 41.4 t30 64.93 37.92 6.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.461 HG22 ' HB2' ' A' ' 73' ' ' ARG . 12.1 mm -91.77 -57.12 4.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.116 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.8 m 56.16 44.08 25.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.461 ' HB2' HG22 ' A' ' 71' ' ' ILE . 10.2 mtp85 -141.94 117.8 10.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.83 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 30.1 mttp -66.96 153.94 42.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.558 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 3.9 m-70 56.5 42.64 27.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.812 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.493 HG23 ' O ' ' A' ' 89' ' ' PHE . 16.7 m -120.36 140.27 51.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.549 ' CE2' ' HB2' ' A' ' 89' ' ' PHE . 1.5 p90 -128.49 158.21 39.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.582 ' HB3' ' CD2' ' A' ' 88' ' ' PHE . 26.6 pttt -130.4 145.61 51.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -113.4 102.69 10.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -101.37 127.35 48.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.901 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.589 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . 50.2 t-80 -99.32 169.77 9.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.509 ' N ' ' CG ' ' A' ' 81' ' ' HIS . . . -30.77 -60.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -175.65 25.12 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.526 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.471 HG13 ' N ' ' A' ' 85' ' ' ARG . 8.7 p -93.45 -42.87 13.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.827 0.346 . . . . 0.0 111.153 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.471 ' N ' HG13 ' A' ' 84' ' ' VAL . 18.8 ttt180 -175.38 162.77 2.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 95.2 m -134.7 101.62 5.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.136 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -80.92 166.38 20.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.582 ' CD2' ' HB3' ' A' ' 78' ' ' LYS . 53.6 m-85 -138.03 151.71 48.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.549 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 33.7 m-85 -146.55 139.15 25.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.443 ' HB2' ' CZ3' ' A' ' 28' ' ' TRP . 26.8 t -122.54 118.44 28.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -90.09 140.37 29.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.102 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -64.64 -39.43 93.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.3 m -114.76 156.21 45.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.654 0.74 . . . . 0.0 110.911 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.558 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 54.2 Cg_endo -69.75 -30.39 22.39 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.733 2.289 . . . . 0.0 112.34 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -66.47 -35.97 81.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -72.85 -48.35 38.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -41.66 -65.17 0.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -53.26 -51.32 62.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -46.95 -45.73 21.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.842 ' CE2' HD11 ' A' ' 17' ' ' LEU . 57.3 m95 -67.16 -55.73 12.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 69.6 mt -41.67 -34.75 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -86.57 -51.68 6.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -48.91 -67.01 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.57 ' SD ' HG11 ' A' ' 62' ' ' VAL . 5.0 ptp -69.3 -25.42 64.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -62.26 -41.09 99.73 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.453 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -65.43 -41.97 92.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 110.853 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -52.85 -25.59 12.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.111 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -82.61 -24.82 33.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.052 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.2 ptt-85 -67.1 150.31 49.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.848 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 13.7 p -123.6 128.9 74.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -101.86 134.13 45.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.4 m -100.16 111.09 23.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -176.58 80.02 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.532 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 94.61 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.655 2.237 . . . . 0.0 112.348 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 4.3 m 53.79 41.82 31.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.842 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 5.4 t -89.7 83.28 6.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.478 -179.955 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -101.59 119.61 39.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.893 0.377 . . . . 0.0 110.845 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.2 m -43.0 -53.78 4.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.859 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.92 73.24 1.16 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.469 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -118.53 150.19 40.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.901 0.382 . . . . 0.0 110.869 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.0 t -91.17 143.14 26.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.3 -141.64 10.03 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.531 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -79.16 131.84 36.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.814 0.34 . . . . 0.0 110.921 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -125.84 144.19 47.67 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.603 0.716 . . . . 0.0 111.084 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 162.42 42.12 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.732 2.288 . . . . 0.0 112.335 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 96.4 t -65.95 140.94 18.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.0 m -88.55 -52.14 5.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.18 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.453 ' HD3' ' CB ' ' A' ' 103' ' ' ALA . 27.4 tttp -150.45 156.02 40.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -157.25 138.14 13.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.146 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.537 ' HA2' ' CZ3' ' A' ' 32' ' ' TRP . . . -178.69 161.29 27.67 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.518 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.475 ' CD1' ' CZ3' ' A' ' 32' ' ' TRP . 91.2 m95 -73.01 111.94 8.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.773 0.32 . . . . 0.0 110.913 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.509 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 18.7 mt -119.74 145.72 46.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.888 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -89.22 117.43 28.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -94.63 116.27 28.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.942 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -50.68 149.09 3.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.58 176.35 6.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 94.9 p -151.69 135.16 16.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.0 m 60.46 44.06 12.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -174.2 -161.99 25.12 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.542 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.4 p -57.2 156.81 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.895 0.378 . . . . 0.0 111.102 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.425 ' HA ' ' NZ ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -83.65 81.85 8.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.911 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -131.12 178.2 6.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 56.0 m95 -128.83 130.02 46.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 54.3 m-80 -109.42 112.57 24.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -55.95 130.52 44.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.475 ' NE ' ' HA ' ' A' ' 44' ' ' LYS . 2.2 tpm_? -147.94 148.22 30.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.845 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.547 ' CE2' ' OE1' ' A' ' 46' ' ' GLU . 68.8 t-105 -79.16 122.22 26.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.509 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 30.8 m-85 -113.0 140.29 47.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 53.8 t -132.82 110.52 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.156 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.409 HD12 ' O ' ' A' ' 39' ' ' CYS . 47.4 tp -72.11 121.77 19.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.737 HG22 ' H ' ' A' ' 37' ' ' ASP . 1.1 p -116.6 -176.42 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.108 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.737 ' H ' HG22 ' A' ' 36' ' ' VAL . 21.0 p-10 -50.73 117.49 2.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.471 ' HA ' ' HB1' ' A' ' 107' ' ' ALA . 76.1 mtt180 34.62 32.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.503 ' HB2' ' CG1' ' A' ' 36' ' ' VAL . 1.7 m -154.54 168.02 28.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.1 tp -144.49 123.53 12.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -110.27 169.95 8.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.555 ' CE1' ' HB2' ' A' ' 52' ' ' LEU . 20.4 p90 -151.34 142.33 23.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.974 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.511 ' CD2' ' HA ' ' A' ' 48' ' ' GLU . 0.8 OUTLIER -133.02 164.23 27.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.927 -179.902 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.747 ' HG2' HD11 ' A' ' 52' ' ' LEU . 34.8 mmtt -58.54 -40.84 84.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.92 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 46' ' ' GLU . 13.9 t70 -155.99 172.39 18.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.547 ' OE1' ' CE2' ' A' ' 32' ' ' TRP . 6.4 mm-40 -36.38 -41.81 0.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 46' ' ' GLU . 65.3 mttt -35.57 -46.44 0.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.511 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 5.5 pt-20 43.07 26.53 0.08 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -49.75 -62.24 1.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 60.4 p -120.44 129.37 53.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.855 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.451 HG12 ' CE2' ' A' ' 43' ' ' TYR . 68.5 mt -66.62 141.43 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.078 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.747 HD11 ' HG2' ' A' ' 44' ' ' LYS . 14.9 mt -99.86 -38.92 8.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.938 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -156.2 156.32 27.0 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.503 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 61.4 p -122.61 129.31 51.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.879 0.371 . . . . 0.0 110.821 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.617 HG23 ' CZ ' ' A' ' 87' ' ' TYR . 30.8 mt -110.38 119.04 47.84 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.641 0.734 . . . . 0.0 111.137 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 136.66 33.6 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.657 2.238 . . . . 0.0 112.386 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 18.7 mt -124.86 40.44 3.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 55.8 tp -90.53 116.64 28.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.957 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 41.6 m 52.45 41.01 30.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.653 ' H ' ' HB1' ' A' ' 108' ' ' ALA . 9.0 m-85 -89.31 158.23 17.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 27.8 ttt180 -109.89 95.22 5.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.863 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 48.2 t -97.08 128.32 48.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -173.02 155.16 2.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.102 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -41.7 133.75 2.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.08 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.426 HG13 ' CA ' ' A' ' 77' ' ' PHE . 19.6 m -52.52 176.34 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.159 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -116.65 159.32 40.86 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.624 0.726 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -0.43 6.93 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.678 2.252 . . . . 0.0 112.326 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 39.3 m -119.6 35.68 4.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -124.18 8.73 8.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 55.51 34.54 23.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.4 mm -98.59 88.34 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.161 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.2 m -83.44 45.81 1.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.7 mtp85 -133.86 123.18 24.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.457 ' HE2' ' CE1' ' A' ' 75' ' ' HIS . 1.3 mmmm -73.09 143.56 47.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.548 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 2.3 m-70 68.64 45.47 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.427 HG23 ' O ' ' A' ' 89' ' ' PHE . 17.7 m -119.51 147.0 44.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.442 ' CZ ' ' HB2' ' A' ' 89' ' ' PHE . 3.1 p90 -132.3 161.52 33.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 42.6 pttt -122.98 146.56 47.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -124.23 104.82 9.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.076 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -114.48 135.45 54.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.582 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . 7.4 t-160 -112.22 67.88 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 62.25 25.08 14.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.086 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.468 ' O ' ' C ' ' A' ' 84' ' ' VAL . . . 104.1 -32.02 8.0 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.469 HG21 ' CE1' ' A' ' 81' ' ' HIS . 69.8 t -32.26 -48.93 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.829 0.347 . . . . 0.0 111.109 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -174.31 141.19 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.6 m -114.36 104.81 12.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.1 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.617 ' CZ ' HG23 ' A' ' 55' ' ' ILE . 86.5 m-85 -94.02 136.4 34.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -112.86 135.15 53.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 87' ' ' TYR . 40.7 m-85 -139.06 123.52 18.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 48.5 t -105.2 122.22 45.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -92.82 133.3 36.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.101 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -54.13 -44.13 71.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 66.1 m -109.38 150.9 41.74 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.691 0.758 . . . . 0.0 110.814 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.548 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 54.2 Cg_endo -69.72 -25.97 28.23 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.642 2.228 . . . . 0.0 112.391 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -69.51 -31.27 69.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -76.35 -48.24 20.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -44.12 -57.7 3.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -58.16 -52.35 65.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -47.43 -49.04 26.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.407 ' O ' ' C ' ' A' ' 101' ' ' ILE . 63.1 m95 -58.79 -59.93 4.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 100' ' ' TRP . 96.2 mt -36.95 -35.59 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -86.83 -49.01 7.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.453 ' CB ' ' HD3' ' A' ' 13' ' ' LYS . . . -54.26 -56.5 17.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.089 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 10.0 ptp -78.56 -25.08 45.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -67.96 -42.21 85.95 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.498 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.409 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 6.2 pt-20 -59.37 -43.02 92.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.878 0.37 . . . . 0.0 110.842 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.471 ' HB1' ' HA ' ' A' ' 38' ' ' ARG . . . -60.36 -29.54 68.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.075 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.653 ' HB1' ' H ' ' A' ' 60' ' ' PHE . . . -82.82 -38.37 23.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.075 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.97 173.34 11.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 12.1 p -129.17 132.87 66.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.115 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.39 154.28 6.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 58.5 p -72.87 174.48 7.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 74.14 173.72 29.51 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 85.23 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.627 2.218 . . . . 0.0 112.357 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.5 t -39.81 149.73 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.3 t -87.92 -50.14 6.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.829 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.511 179.977 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -93.52 92.77 7.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.876 0.37 . . . . 0.0 110.842 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.3 t -70.91 99.3 1.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.27 -164.6 21.0 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.485 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.4 m -137.09 158.0 45.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.876 0.37 . . . . 0.0 110.89 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -54.14 -43.68 70.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.04 68.66 0.1 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.458 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -66.08 -47.69 73.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.854 0.359 . . . . 0.0 110.869 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.05 154.65 89.23 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.587 0.708 . . . . 0.0 111.074 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 157.97 58.48 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.684 2.256 . . . . 0.0 112.386 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 76.0 t -61.22 135.29 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.6 m -82.49 -47.49 12.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.119 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.454 ' HD3' ' CD2' ' A' ' 100' ' ' TRP . 36.3 tttp -156.95 153.45 28.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -156.85 131.3 8.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -175.13 161.53 30.85 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.509 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.489 ' CD2' ' HE2' ' A' ' 30' ' ' LYS . 94.6 m95 -74.71 114.06 12.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.826 0.346 . . . . 0.0 110.913 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.441 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 22.9 mt -122.72 144.03 49.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -92.7 126.34 37.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.2 tttm -105.0 133.3 50.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -64.35 140.74 58.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.948 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.69 153.31 24.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.106 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.6 m -122.7 122.07 37.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.4 t 71.62 49.34 0.29 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -178.14 -166.33 34.36 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.494 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.8 m -49.91 163.35 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.881 0.372 . . . . 0.0 111.127 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp -86.08 59.76 5.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -105.41 174.61 5.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.931 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 43.6 m95 -128.4 133.41 48.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -115.21 130.12 56.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.489 ' HE2' ' CD2' ' A' ' 16' ' ' TRP . 43.6 tttt -71.07 139.9 50.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.7 tpp85 -156.97 143.56 18.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 75.3 t-105 -74.81 118.44 17.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.949 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.441 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 38.6 m-85 -112.71 136.79 51.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.425 ' C ' HD12 ' A' ' 40' ' ' LEU . 89.7 t -134.96 100.49 2.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.442 HD12 ' O ' ' A' ' 39' ' ' CYS . 14.6 tp -63.49 125.27 23.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.959 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.69 HG22 ' H ' ' A' ' 37' ' ' ASP . 0.5 OUTLIER -114.31 -173.54 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.101 179.906 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.69 ' H ' HG22 ' A' ' 36' ' ' VAL . 2.2 t70 -56.9 124.45 18.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.465 ' C ' ' O ' ' A' ' 37' ' ' ASP . 18.2 mtt180 32.64 36.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.501 ' HB3' ' CG1' ' A' ' 36' ' ' VAL . 1.6 t -170.49 172.07 6.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.425 HD12 ' C ' ' A' ' 34' ' ' VAL . 7.3 tp -146.38 142.98 28.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -129.63 150.29 51.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.585 ' CE1' ' HB2' ' A' ' 52' ' ' LEU . 46.3 p90 -131.07 145.72 52.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.926 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.52 ' CG ' ' HA ' ' A' ' 48' ' ' GLU . 2.0 m-85 -130.2 157.91 41.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.6 tptm -50.18 -39.98 45.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -154.78 -177.09 6.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.909 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 48' ' ' GLU . 2.8 pp20? -49.13 -41.25 35.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.904 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.486 ' O ' ' C ' ' A' ' 48' ' ' GLU . 45.5 mttp -36.86 -30.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.52 ' HA ' ' CG ' ' A' ' 43' ' ' TYR . 6.6 pt-20 31.05 46.53 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -80.55 -53.88 6.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 89.3 p -117.75 131.77 56.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.485 HG12 ' CE2' ' A' ' 43' ' ' TYR . 55.1 mt -80.26 132.68 31.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.129 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.585 ' HB2' ' CE1' ' A' ' 42' ' ' TYR . 9.7 mt -92.27 -46.86 7.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.926 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.418 ' HA3' ' CE2' ' A' ' 42' ' ' TYR . . . -148.23 154.36 25.83 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.463 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 59.9 p -121.11 134.85 55.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.89 0.376 . . . . 0.0 110.847 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.419 ' HA ' ' HD2' ' A' ' 56' ' ' PRO . 22.2 mt -113.61 104.95 55.26 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.675 0.75 . . . . 0.0 111.152 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.588 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 54.3 Cg_endo -69.69 101.79 0.94 Allowed 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.705 2.27 . . . . 0.0 112.383 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.438 HD13 ' HB2' ' A' ' 104' ' ' MET . 60.1 mt -91.71 46.04 1.26 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.4 tp -69.07 -61.19 1.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 t -130.92 42.69 3.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.588 ' CE1' ' O ' ' A' ' 56' ' ' PRO . 5.8 m-85 -80.34 170.34 16.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 52.8 ttt180 -121.09 96.38 5.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.758 HG21 ' HG3' ' A' ' 104' ' ' MET . 40.1 t -99.96 128.96 51.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 64' ' ' ALA . . . -173.99 142.75 0.88 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 63' ' ' ALA . . . -35.31 132.05 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.09 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 76' ' ' THR . 22.7 m -54.02 -177.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.098 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -130.6 160.58 65.53 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.633 0.73 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -3.59 12.27 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.708 2.272 . . . . 0.0 112.32 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.9 m -100.56 -10.42 21.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.875 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -88.14 3.97 47.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.8 m-20 59.67 30.87 20.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 20.5 mm -94.78 84.76 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.156 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.4 t -80.98 43.74 0.72 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 22.6 mtp85 -127.97 113.74 16.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.831 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -62.53 152.16 35.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.498 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 2.0 m-70 57.21 45.22 20.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.841 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.486 ' O ' HG22 ' A' ' 65' ' ' VAL . 30.9 m -121.46 140.17 52.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.58 ' CE2' ' HB2' ' A' ' 89' ' ' PHE . 3.1 p90 -128.55 160.89 30.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.861 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.9 pttp -119.02 146.51 44.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -134.17 103.73 5.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.083 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.669 ' HB3' HG23 ' A' ' 86' ' ' THR . 16.3 pt-20 -125.47 150.51 47.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.468 ' O ' ' CD2' ' A' ' 81' ' ' HIS . 22.4 t-160 -96.55 16.15 19.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 56.79 47.91 17.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 156.89 -51.6 0.42 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.498 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 86.0 t -60.7 -71.8 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.85 0.357 . . . . 0.0 111.17 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -166.81 158.85 13.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.669 HG23 ' HB3' ' A' ' 80' ' ' GLU . 8.5 m -110.0 108.94 19.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -91.49 169.75 10.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -149.1 119.88 7.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.84 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.58 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 54.8 m-85 -120.97 128.52 52.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 45.5 t -106.75 138.35 43.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.816 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -109.43 135.94 49.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.121 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -59.88 -44.79 94.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.9 p -108.22 151.68 41.53 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.639 0.733 . . . . 0.0 110.86 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.498 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 54.3 Cg_endo -69.76 -21.34 33.64 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.7 2.267 . . . . 0.0 112.363 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -73.61 -35.7 65.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -71.71 -49.23 41.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -40.81 -60.92 1.05 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -57.24 -51.73 68.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -44.51 -51.42 8.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.09 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.454 ' CD2' ' HD3' ' A' ' 13' ' ' LYS . 75.1 m95 -61.84 -59.74 4.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 100' ' ' TRP . 96.9 mt -36.73 -38.29 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.13 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -85.45 -47.45 9.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.944 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.4 -60.3 3.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.102 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.758 ' HG3' HG21 ' A' ' 62' ' ' VAL . 6.7 ptm -73.64 -33.73 64.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -60.71 -53.0 48.96 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.472 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.473 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 6.0 pt-20 -48.64 -46.57 40.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.875 0.369 . . . . 0.0 110.909 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.473 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -53.21 -33.52 53.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.147 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.494 ' HB1' ' O ' ' A' ' 60' ' ' PHE . . . -72.57 -37.65 68.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 31.5 mtp180 -53.44 161.6 0.95 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.466 HG13 ' NE2' ' A' ' 111' ' ' GLN . 89.2 t -129.17 131.16 68.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.466 ' NE2' HG13 ' A' ' 110' ' ' VAL . 4.2 pm0 -34.43 138.51 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 111' ' ' GLN . 73.5 m 37.5 51.77 1.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -55.56 151.1 19.87 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 115' ' ' SER . 53.3 Cg_endo -69.77 2.83 3.19 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.693 2.262 . . . . 0.0 112.352 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 114' ' ' PRO . 9.6 m -34.56 -47.59 0.33 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.8 m -94.27 97.96 10.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.455 -179.975 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t -107.37 139.72 41.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.875 0.369 . . . . 0.0 110.861 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.9 t -85.87 93.31 8.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.884 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 45.98 -105.8 0.11 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.481 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.3 t -137.52 119.35 15.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.36 . . . . 0.0 110.842 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.6 p -119.5 162.22 19.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.17 98.39 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.442 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -101.21 140.25 35.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 110.936 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.626 ' HB1' ' HD2' ' A' ' 10' ' ' PRO . . . -157.77 161.37 29.12 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.56 0.695 . . . . 0.0 111.094 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.626 ' HD2' ' HB1' ' A' ' 9' ' ' ALA . 53.3 Cg_endo -69.79 155.37 66.01 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.708 2.272 . . . . 0.0 112.334 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 82.2 t -59.65 143.4 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.4 m -89.07 -50.96 5.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.094 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -153.23 149.1 27.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.406 ' HB2' HG13 ' A' ' 34' ' ' VAL . . . -148.28 129.22 14.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.086 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.51 ' HA2' ' CZ3' ' A' ' 32' ' ' TRP . . . -170.42 162.17 35.28 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.471 ' CD1' ' CZ3' ' A' ' 32' ' ' TRP . 91.6 m95 -75.5 117.65 17.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.824 0.345 . . . . 0.0 110.975 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.568 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 16.4 mt -124.28 127.76 48.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.949 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.575 ' CE1' ' HD2' ' A' ' 30' ' ' LYS . 10.7 m-85 -73.36 118.85 16.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 48.0 tttt -93.96 107.37 19.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -39.92 153.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.39 93.01 8.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.093 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 62.4 p -46.59 -49.84 18.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 79.7 p -106.23 176.83 5.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.05 -163.93 10.23 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.469 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.4 p -56.52 152.6 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.898 0.38 . . . . 0.0 111.116 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -73.64 82.63 1.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -119.02 177.34 4.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.939 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 55.4 m95 -128.55 126.05 39.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.94 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -109.36 126.51 53.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.575 ' HD2' ' CE1' ' A' ' 18' ' ' PHE . 18.9 tttt -71.63 131.71 43.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.477 ' NE ' ' HA ' ' A' ' 44' ' ' LYS . 1.6 tpm_? -144.61 159.96 41.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.51 ' CZ3' ' HA2' ' A' ' 15' ' ' GLY . 56.4 t-105 -89.17 109.58 20.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.568 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 30.9 m-85 -103.84 128.59 51.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.406 HG13 ' HB2' ' A' ' 14' ' ' ALA . 67.5 t -127.56 103.28 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.155 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.795 HD12 ' O ' ' A' ' 39' ' ' CYS . 15.3 tp -71.65 119.76 16.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.737 HG22 ' H ' ' A' ' 37' ' ' ASP . 0.9 OUTLIER -86.87 -174.17 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.829 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.737 ' H ' HG22 ' A' ' 36' ' ' VAL . 1.8 p30 -30.68 -59.6 0.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.851 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.489 ' N ' ' OD1' ' A' ' 37' ' ' ASP . 3.1 mtt85 -131.21 -32.21 1.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.795 ' O ' HD12 ' A' ' 35' ' ' LEU . 63.0 m -82.47 179.69 7.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 28.5 tp -139.85 112.26 7.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -102.05 171.33 7.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.446 ' CE2' ' HA3' ' A' ' 53' ' ' GLY . 42.5 p90 -154.71 154.04 32.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.928 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.54 ' CD2' ' HA ' ' A' ' 48' ' ' GLU . 0.9 OUTLIER -140.46 148.0 40.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.477 ' HA ' ' NE ' ' A' ' 31' ' ' ARG . 34.4 mmtt -47.3 -35.11 7.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.931 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 45' ' ' ASP . 1.0 OUTLIER -146.4 -176.72 5.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.843 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -76.89 48.03 0.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.408 ' NZ ' ' HB2' ' A' ' 44' ' ' LYS . 8.3 pttm -100.13 -28.67 12.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.54 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 4.8 pt-20 39.72 43.06 1.08 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -102.36 -66.84 0.9 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.4 m -113.47 104.94 12.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.528 HG12 ' CE2' ' A' ' 43' ' ' TYR . 90.3 mt -59.94 134.83 25.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.129 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.467 ' CD1' ' HG2' ' A' ' 44' ' ' LYS . 8.0 mt -94.04 -41.96 9.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.446 ' HA3' ' CE2' ' A' ' 42' ' ' TYR . . . -150.06 144.0 11.41 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.505 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.9 t -110.12 145.79 36.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.873 0.368 . . . . 0.0 110.871 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.423 ' HA ' ' HD2' ' A' ' 56' ' ' PRO . 45.9 mt -126.4 105.08 24.54 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.616 0.722 . . . . 0.0 111.11 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 55' ' ' ILE . 54.0 Cg_endo -69.81 133.32 25.19 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.706 2.27 . . . . 0.0 112.357 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 81.6 mt -128.93 55.17 1.74 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.8 tp -76.89 -63.22 1.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.973 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.7 m -128.22 40.44 3.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.839 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -78.33 -179.82 6.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -129.97 92.31 3.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.411 HG11 ' HG3' ' A' ' 104' ' ' MET . 8.2 t -98.84 131.08 46.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -174.14 157.34 2.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.119 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -42.74 137.02 2.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.122 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.719 HG21 HG21 ' A' ' 71' ' ' ILE . 23.8 m -64.66 -179.05 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.446 ' CD ' ' HD2' ' A' ' 67' ' ' PRO . 2.5 mm100 -131.01 161.85 59.15 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.575 0.702 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.446 ' HD2' ' CD ' ' A' ' 66' ' ' GLN . 53.8 Cg_endo -69.75 -9.07 25.21 Favored 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.672 2.248 . . . . 0.0 112.357 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.0 m -88.68 -14.25 37.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -88.98 -0.11 57.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.8 m120 63.68 36.05 11.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.719 HG21 HG21 ' A' ' 65' ' ' VAL . 25.0 mm -92.86 88.77 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.141 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 60.5 m -83.6 42.23 0.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 28.8 mtp180 -134.47 120.54 19.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.2 mmtm -70.6 149.04 47.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.479 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 2.5 m-70 65.21 41.86 4.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.612 ' O ' HG22 ' A' ' 65' ' ' VAL . 10.3 m -120.63 136.47 54.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.476 ' CE2' ' HB2' ' A' ' 89' ' ' PHE . 6.8 p90 -124.16 162.97 22.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.533 ' HB3' ' CE1' ' A' ' 88' ' ' PHE . 32.7 pttt -129.95 144.44 51.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.409 ' CB ' HG22 ' A' ' 62' ' ' VAL . . . -125.59 118.41 25.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.421 ' HB2' HG23 ' A' ' 86' ' ' THR . 35.9 tt0 -133.17 150.24 52.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.559 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 3.8 t-160 -103.8 18.33 22.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' A' ' 81' ' ' HIS . . . 74.7 44.99 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 84' ' ' VAL . . . 133.41 -57.07 0.71 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.511 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.448 ' C ' ' O ' ' A' ' 83' ' ' GLY . 67.7 t -34.02 -67.26 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.908 0.385 . . . . 0.0 111.189 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -167.95 152.06 6.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.421 HG23 ' HB2' ' A' ' 80' ' ' GLU . 2.2 m -115.83 100.19 7.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -86.94 158.87 19.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.533 ' CE1' ' HB3' ' A' ' 78' ' ' LYS . 63.2 m-85 -140.86 130.03 23.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.865 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.476 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 42.0 m-85 -134.14 137.31 44.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 31.0 t -114.44 129.92 56.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -96.47 138.66 33.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.1 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -58.49 -43.84 89.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.8 m -115.6 160.13 35.93 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.669 0.747 . . . . 0.0 110.866 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.479 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 53.9 Cg_endo -69.82 -35.82 11.76 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.652 2.235 . . . . 0.0 112.346 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -59.61 -39.59 84.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -67.22 -49.82 63.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -42.01 -62.45 0.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -56.54 -50.01 73.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -48.3 -46.32 36.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.469 ' O ' ' N ' ' A' ' 102' ' ' GLN . 65.1 m95 -65.22 -62.92 1.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.936 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.438 ' C ' ' O ' ' A' ' 100' ' ' TRP . 86.4 mt -34.66 -34.06 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.105 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 100' ' ' TRP . 24.9 mt-30 -88.51 -54.06 4.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.916 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.57 -51.76 45.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.411 ' HG3' HG11 ' A' ' 62' ' ' VAL . 7.8 ptm -81.14 -38.49 27.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -55.02 -48.54 66.91 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.488 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.402 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 5.5 pt-20 -53.28 -42.92 67.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.891 0.377 . . . . 0.0 110.898 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.402 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -57.58 -27.61 62.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.092 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -86.13 -33.56 20.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.126 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -85.53 154.73 21.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 91.1 t -142.04 147.53 21.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -98.29 110.74 23.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.938 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 91.8 p -100.34 37.43 1.68 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -97.07 -156.88 30.78 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.49 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 114.66 3.77 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.762 2.308 . . . . 0.0 112.333 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 t -90.75 125.81 35.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 72.7 m -83.59 -54.02 5.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.854 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.497 179.989 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.6 t -88.44 103.98 16.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 0.0 110.847 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -56.55 162.23 2.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.26 144.64 0.34 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.491 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.4 p 42.42 42.26 2.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.881 0.372 . . . . 0.0 110.87 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 t -99.79 99.91 10.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.71 -177.62 49.32 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.48 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 61.9 t-20 50.66 40.31 23.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.822 0.344 . . . . 0.0 110.877 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.558 ' HB1' ' HD2' ' A' ' 10' ' ' PRO . . . -40.1 159.62 0.13 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.562 0.696 . . . . 0.0 111.094 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.558 ' HD2' ' HB1' ' A' ' 9' ' ' ALA . 54.1 Cg_endo -69.76 179.87 3.39 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.649 2.233 . . . . 0.0 112.365 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 95.7 t -110.29 135.13 50.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.139 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.3 m -90.22 -43.24 10.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 35.0 tttp -156.59 149.31 23.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -157.33 134.26 10.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.065 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -174.28 162.75 33.24 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.551 ' CE3' ' HE2' ' A' ' 30' ' ' LYS . 92.4 m95 -73.93 107.84 6.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.782 0.325 . . . . 0.0 110.873 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.427 HD11 ' CE2' ' A' ' 100' ' ' TRP . 18.0 mt -120.18 129.7 54.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -78.62 116.48 19.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.88 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.1 tttt -88.2 139.94 29.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -81.95 127.02 32.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.48 105.28 4.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.098 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.1 t -65.62 -42.51 91.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.8 t -81.2 167.45 19.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 46.55 -163.81 0.14 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.501 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.1 m -45.55 160.21 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.876 0.369 . . . . 0.0 111.149 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.5 mptt -90.76 87.63 6.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -128.4 177.76 6.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 45.5 m95 -119.51 154.11 34.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -140.56 133.26 28.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.551 ' HE2' ' CE3' ' A' ' 16' ' ' TRP . 21.5 tttm -70.01 127.62 33.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -147.72 142.8 27.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 48.4 t-105 -76.48 121.68 23.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -113.97 139.32 49.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 48.6 t -134.3 106.1 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.429 HD12 ' O ' ' A' ' 39' ' ' CYS . 25.2 tp -65.78 126.17 27.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.741 HG22 ' H ' ' A' ' 37' ' ' ASP . 2.3 p -120.91 179.25 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.741 ' H ' HG22 ' A' ' 36' ' ' VAL . 2.3 m-20 -51.59 114.83 1.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 57.3 mtt180 39.4 39.24 0.45 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.529 ' C ' HG12 ' A' ' 36' ' ' VAL . 1.5 m -166.55 173.57 9.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.4 tp -151.53 124.7 8.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.55 ' CE1' ' HB2' ' A' ' 54' ' ' SER . 85.2 m-85 -110.79 153.04 25.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.599 ' CD2' ' O ' ' A' ' 53' ' ' GLY . 20.8 p90 -136.66 137.91 40.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.943 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.583 ' CE2' HG12 ' A' ' 51' ' ' ILE . 2.7 m-85 -121.07 159.51 25.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -47.52 -48.04 27.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.861 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -147.39 177.64 9.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -50.74 -41.85 56.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.862 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.8 mtpp -42.61 -32.18 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.559 ' HG2' ' CD1' ' A' ' 43' ' ' TYR . 41.4 mt-10 58.46 43.54 19.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -48.97 -60.62 2.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 t -149.73 147.11 27.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.846 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.583 HG12 ' CE2' ' A' ' 43' ' ' TYR . 69.4 mt -72.35 128.64 35.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.108 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.502 ' HB2' ' CE1' ' A' ' 42' ' ' TYR . 25.8 mt -94.32 -48.08 6.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.599 ' O ' ' CD2' ' A' ' 42' ' ' TYR . . . -152.58 143.26 10.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.485 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.55 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 31.3 t -110.66 149.56 30.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.899 0.38 . . . . 0.0 110.808 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.56 HG12 ' CE2' ' A' ' 87' ' ' TYR . 23.1 mt -120.71 108.16 37.51 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.647 0.736 . . . . 0.0 111.112 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.505 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 54.0 Cg_endo -69.76 99.92 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.666 2.244 . . . . 0.0 112.369 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.521 HD13 ' HB2' ' A' ' 104' ' ' MET . 38.1 mt -82.53 51.28 1.82 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.3 tp -103.81 114.27 28.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 m 61.61 39.43 14.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.505 ' CE1' ' O ' ' A' ' 56' ' ' PRO . 7.6 m-85 -99.33 155.8 17.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 47.3 ttt85 -107.84 97.73 7.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 44.4 t -96.94 133.51 38.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.082 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -175.09 165.29 3.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.112 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -56.3 142.63 37.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.093 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.623 HG21 HG21 ' A' ' 71' ' ' ILE . 30.7 m -70.16 -174.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -133.59 161.45 63.68 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.586 0.707 . . . . 0.0 110.926 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 3.03 3.01 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.701 2.267 . . . . 0.0 112.359 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.9 m -104.88 -15.96 15.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.413 ' CB ' HG12 ' A' ' 71' ' ' ILE . 7.0 m-20 -84.43 29.01 0.61 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.855 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 69' ' ' ASP . 0.9 OUTLIER 36.9 34.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.891 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.623 HG21 HG21 ' A' ' 65' ' ' VAL . 40.5 mm -81.88 -57.07 5.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.168 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.0 m 50.31 47.98 22.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 24.0 mtp180 -146.53 124.79 12.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.9 mmtm -69.25 158.93 34.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.549 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 1.4 m-70 51.41 47.04 25.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.915 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 23.6 m -124.91 139.85 53.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.558 ' CZ ' ' HB2' ' A' ' 89' ' ' PHE . 23.7 p90 -133.99 152.29 51.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 47.0 pttt -110.52 150.95 28.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -134.06 103.89 5.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.124 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -139.64 129.33 24.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.463 ' CG ' ' N ' ' A' ' 82' ' ' ALA . 0.1 OUTLIER -66.0 -74.98 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.898 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.463 ' N ' ' CG ' ' A' ' 81' ' ' HIS . . . -134.94 -59.46 0.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -156.26 25.34 0.54 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.504 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 45.3 t -86.19 -68.98 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.8 0.333 . . . . 0.0 111.148 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.0 ttp180 -156.92 146.07 20.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 24.3 m -108.93 102.8 11.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.56 ' CE2' HG12 ' A' ' 55' ' ' ILE . 37.9 m-85 -83.62 118.91 24.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -102.88 141.9 34.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.558 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . 36.5 m-85 -140.19 125.47 18.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.9 t -106.82 112.92 26.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -83.39 133.38 34.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.107 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -49.09 -45.76 43.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.8 m -114.61 160.64 32.43 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.677 0.751 . . . . 0.0 110.849 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.549 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 53.5 Cg_endo -69.81 -29.77 23.09 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.681 2.254 . . . . 0.0 112.391 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -62.61 -39.36 93.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -68.61 -47.41 66.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.423 ' CD ' ' HA ' ' A' ' 75' ' ' HIS . 12.4 tt0 -45.22 -64.23 0.76 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -53.51 -48.9 68.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -49.69 -49.32 48.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.092 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.427 ' CE2' HD11 ' A' ' 17' ' ' LEU . 67.6 m95 -61.71 -58.34 8.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 81.4 mt -37.19 -37.31 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -87.15 -58.6 2.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -39.39 -67.3 0.23 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.521 ' HB2' HD13 ' A' ' 57' ' ' LEU . 11.6 ptp -72.5 -29.72 63.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.401 ' N ' ' HG3' ' A' ' 104' ' ' MET . . . -54.84 -53.02 42.24 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.533 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 107' ' ' ALA . 4.7 pt-20 -55.64 -42.46 75.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.851 0.358 . . . . 0.0 110.89 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.409 ' N ' ' HG3' ' A' ' 106' ' ' GLU . . . -64.37 -24.18 67.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.096 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -83.55 -42.01 17.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.086 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 8.7 ptt180 -53.84 155.21 3.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.839 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 13.3 p -137.79 146.98 26.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -86.81 81.97 7.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.7 t -110.27 -58.62 2.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 156.89 -146.56 13.98 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.464 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 123.34 10.01 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.677 2.252 . . . . 0.0 112.346 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.5 m -90.21 140.19 29.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.858 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 69.1 m 60.99 42.25 12.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.881 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.453 -179.944 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 t -132.45 166.83 21.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.831 0.348 . . . . 0.0 110.904 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.1 t -96.2 113.99 25.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.839 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.7 87.49 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.523 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m -62.6 84.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 0.0 110.866 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.6 p -112.07 135.97 52.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.827 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.18 -125.2 6.76 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.509 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -154.19 116.64 4.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.835 0.35 . . . . 0.0 110.852 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.519 ' HB1' ' HD2' ' A' ' 10' ' ' PRO . . . -78.54 158.65 75.87 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.63 0.728 . . . . 0.0 111.066 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.519 ' HD2' ' HB1' ' A' ' 9' ' ' ALA . 53.8 Cg_endo -69.77 153.45 68.84 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.677 2.251 . . . . 0.0 112.331 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.8 p -82.54 141.18 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.5 m -89.92 -52.96 4.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.7 tttp -150.57 153.44 35.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.935 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.465 ' HB1' HG22 ' A' ' 34' ' ' VAL . . . -157.29 137.31 12.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.087 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 179.83 169.32 39.92 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.45 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.525 ' CD2' ' HE2' ' A' ' 30' ' ' LYS . 98.4 m95 -77.77 123.4 26.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.804 0.335 . . . . 0.0 110.939 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.6 mt -133.75 131.4 39.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -79.74 115.54 19.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.6 tttm -91.29 126.28 36.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.417 ' OE1' ' CZ2' ' A' ' 28' ' ' TRP . 18.1 tt0 -63.67 134.66 55.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.31 91.61 6.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.5 m -82.1 -42.16 19.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.1 p -69.07 -54.81 13.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.9 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.33 -161.71 22.32 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.505 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.4 p -57.6 165.08 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 0.0 111.154 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -72.09 82.83 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -147.37 177.71 9.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.424 ' CE3' ' HD3' ' A' ' 73' ' ' ARG . 21.6 m95 -125.69 136.8 53.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -121.99 155.44 35.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.525 ' HE2' ' CD2' ' A' ' 16' ' ' TRP . 73.2 tttt -94.29 142.0 27.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -156.28 153.87 29.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.834 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 75.4 t-105 -85.62 114.2 22.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -106.61 139.82 40.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.465 HG22 ' HB1' ' A' ' 14' ' ' ALA . 71.7 t -134.99 103.73 4.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.111 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.481 HD12 ' O ' ' A' ' 39' ' ' CYS . 27.2 tp -61.76 128.27 35.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.626 HG22 ' H ' ' A' ' 37' ' ' ASP . 0.8 OUTLIER -123.11 178.74 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.162 179.848 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.626 ' H ' HG22 ' A' ' 36' ' ' VAL . 6.6 p-10 -45.1 115.9 1.0 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.849 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.472 ' HA ' ' HB1' ' A' ' 107' ' ' ALA . 50.0 mtt180 34.27 32.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.506 ' N ' ' O ' ' A' ' 37' ' ' ASP . 1.7 m -154.58 176.67 12.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 28.9 tp -151.87 127.5 10.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -115.02 160.44 19.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.576 ' CE2' ' HB2' ' A' ' 52' ' ' LEU . 48.6 p90 -141.26 141.21 34.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.94 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.51 ' CD2' ' HG3' ' A' ' 48' ' ' GLU . 1.4 m-85 -131.05 161.34 32.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.865 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.46 ' HG2' HD11 ' A' ' 52' ' ' LEU . 10.3 mmtp -48.46 -47.06 38.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.92 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -148.01 -178.86 6.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 47' ' ' LYS . 3.1 pp20? -53.87 -43.57 69.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 46' ' ' GLU . 5.6 mmmm -36.26 -43.42 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.51 ' HG3' ' CD2' ' A' ' 43' ' ' TYR . 24.5 tt0 70.7 45.0 0.6 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -47.68 -61.31 2.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 58.0 p -150.44 159.47 44.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 72.9 mt -81.31 129.77 36.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.102 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.576 ' HB2' ' CE2' ' A' ' 42' ' ' TYR . 6.7 mt -94.4 -47.17 6.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.956 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.411 ' CA ' ' CE1' ' A' ' 42' ' ' TYR . . . -150.46 151.49 23.52 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.481 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 24.6 p -114.24 135.18 54.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.833 0.349 . . . . 0.0 110.878 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.414 ' HA ' ' HD2' ' A' ' 56' ' ' PRO . 28.9 mt -115.67 104.99 52.44 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.628 0.728 . . . . 0.0 111.121 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 55' ' ' ILE . 53.9 Cg_endo -69.75 105.28 1.46 Allowed 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.64 2.227 . . . . 0.0 112.338 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 24.3 mt -86.68 44.54 1.17 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.3 tp -93.22 105.32 17.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.1 t 69.3 38.81 1.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.584 ' CD1' ' HB2' ' A' ' 81' ' ' HIS . 8.6 m-85 -101.87 124.84 48.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -78.42 102.12 7.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 46.3 t -96.22 128.22 47.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.058 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -174.89 151.5 1.39 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.063 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.84 143.44 1.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.087 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.619 HG11 HG13 ' A' ' 71' ' ' ILE . 14.5 m -50.39 -178.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.166 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -115.48 157.69 43.48 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.567 0.699 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -11.74 31.45 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.692 2.261 . . . . 0.0 112.322 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.8 m -83.6 -33.3 25.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.03 -38.45 88.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 25.7 t30 65.5 43.96 3.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.619 HG13 HG11 ' A' ' 65' ' ' VAL . 19.6 mm -60.55 131.83 25.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.119 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.428 ' O ' ' CG ' ' A' ' 73' ' ' ARG . 8.4 t -80.49 44.66 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.428 ' CG ' ' O ' ' A' ' 72' ' ' SER . 27.1 mtp85 -161.31 134.23 6.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -81.77 177.09 9.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.505 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 3.5 m-70 38.37 42.69 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.824 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.475 HG23 ' O ' ' A' ' 89' ' ' PHE . 24.9 m -106.13 150.05 26.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 89' ' ' PHE . 21.8 p90 -139.82 152.49 46.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 46.7 pttt -117.96 151.32 37.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.854 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -125.59 103.02 7.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.059 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -120.0 130.15 54.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.584 ' HB2' ' CD1' ' A' ' 60' ' ' PHE . 0.1 OUTLIER -91.56 -75.05 0.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.513 ' H ' HG12 ' A' ' 84' ' ' VAL . . . -168.95 109.24 0.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 36.71 52.19 1.45 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.513 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.638 HG13 ' H ' ' A' ' 85' ' ' ARG . 2.5 p -132.78 -57.05 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.826 0.346 . . . . 0.0 111.127 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.638 ' H ' HG13 ' A' ' 84' ' ' VAL . 19.2 ttm180 -173.8 166.86 4.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.5 m -140.1 106.31 5.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.101 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -81.78 166.57 19.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -144.96 118.85 9.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . 34.1 m-85 -124.51 132.74 53.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 31.9 t -113.75 115.55 27.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -85.74 130.8 34.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.068 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -50.07 -44.51 51.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.1 m -112.9 153.41 45.2 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.668 0.747 . . . . 0.0 110.845 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.505 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 53.8 Cg_endo -69.75 -19.76 35.76 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.698 2.265 . . . . 0.0 112.316 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -73.0 -36.58 67.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -72.56 -45.07 61.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -44.6 -56.37 4.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.936 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -60.82 -50.23 74.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -48.97 -47.23 44.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.102 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 57.6 m95 -64.03 -58.01 7.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 74.9 mt -38.74 -39.24 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.164 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -83.83 -55.29 4.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -43.39 -62.9 0.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 7.1 ptp -75.62 -27.33 58.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -58.45 -51.85 56.29 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.506 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -55.86 -41.81 74.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.359 . . . . 0.0 110.863 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.472 ' HB1' ' HA ' ' A' ' 38' ' ' ARG . . . -60.56 -29.85 69.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.082 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.476 ' HB1' ' H ' ' A' ' 60' ' ' PHE . . . -87.95 -36.37 17.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -71.41 159.23 34.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 62.7 t -130.99 141.03 47.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 112' ' ' SER . 50.8 mt-30 -94.63 132.56 39.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 111' ' ' GLN . 54.3 p -36.8 137.65 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -141.58 113.68 0.85 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 0.83 5.08 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.719 2.279 . . . . 0.0 112.352 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 70.2 m -56.95 132.92 54.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.3 t -165.73 142.79 5.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.526 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.1 p -44.95 119.98 2.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.883 0.373 . . . . 0.0 110.813 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.8 m -132.27 157.78 43.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.831 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.6 -132.78 0.76 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.524 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m 44.81 42.24 5.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.93 0.395 . . . . 0.0 110.871 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.3 p -133.52 137.3 45.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.844 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.25 -176.12 2.11 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.485 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 -76.38 129.4 36.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.827 0.346 . . . . 0.0 110.909 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.81 148.37 35.2 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.579 0.704 . . . . 0.0 111.12 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 166.44 27.58 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.743 2.295 . . . . 0.0 112.333 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.7 p -82.4 147.53 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.068 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.9 m -92.0 -50.6 5.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.198 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.6 tttp -154.18 152.07 29.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.936 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -159.75 134.81 8.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -176.16 164.93 35.13 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.421 ' CH2' ' HA ' ' A' ' 45' ' ' ASP . 92.4 m95 -74.37 110.87 9.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.824 0.345 . . . . 0.0 110.952 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.461 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 12.6 mt -119.86 140.14 51.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.517 ' CZ ' ' HD2' ' A' ' 30' ' ' LYS . 11.6 m-85 -86.47 118.93 26.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.9 tttt -95.45 124.06 39.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.911 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.6 tp60 -61.0 150.94 31.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.15 98.64 11.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.9 t -60.52 -46.95 88.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.861 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.1 t -107.1 127.93 53.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.52 -165.97 13.64 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.6 p -53.66 163.68 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 0.0 111.149 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 66.4 mttt -87.44 85.09 7.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.2 pt20 -137.15 174.06 11.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.541 ' CG ' ' HD2' ' A' ' 73' ' ' ARG . 40.2 m95 -122.34 130.43 53.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.5 m120 -107.48 122.12 45.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.517 ' HD2' ' CZ ' ' A' ' 18' ' ' PHE . 48.3 tttt -68.42 125.77 27.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.483 ' NE ' ' HA ' ' A' ' 44' ' ' LYS . 1.4 tpm_? -143.71 154.17 43.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 75.9 t-105 -83.3 117.15 22.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.461 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 37.9 m-85 -108.05 140.89 40.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.862 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 99.6 t -138.37 106.07 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.162 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.609 HD12 ' O ' ' A' ' 39' ' ' CYS . 18.4 tp -68.21 123.57 21.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.723 HG22 ' H ' ' A' ' 37' ' ' ASP . 1.1 p -117.18 -177.44 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.153 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.723 ' H ' HG22 ' A' ' 36' ' ' VAL . 5.9 p-10 -48.16 114.88 1.02 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.533 ' HA ' ' HB1' ' A' ' 107' ' ' ALA . 37.4 mtt180 36.2 31.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.609 ' O ' HD12 ' A' ' 35' ' ' LEU . 1.7 m -153.57 175.62 13.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 32.5 tp -150.58 125.41 9.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.959 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -113.85 155.11 26.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.582 ' CE1' ' HB2' ' A' ' 52' ' ' LEU . 39.2 p90 -139.35 142.87 37.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.546 ' CD1' ' HG2' ' A' ' 48' ' ' GLU . 2.1 m-85 -130.93 153.8 48.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.483 ' HA ' ' NE ' ' A' ' 31' ' ' ARG . 25.1 mttm -42.47 -43.08 3.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.929 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.421 ' HA ' ' CH2' ' A' ' 16' ' ' TRP . 1.7 m-20 -151.71 -179.31 7.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.0 -17.83 19.98 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -58.96 -35.98 74.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.546 ' HG2' ' CD1' ' A' ' 43' ' ' TYR . 16.7 mt-10 55.73 42.69 28.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -54.89 -51.39 66.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 51.4 m -153.59 139.02 17.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 48.9 mt -65.54 132.17 31.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.11 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.582 ' HB2' ' CE1' ' A' ' 42' ' ' TYR . 91.9 mt -96.07 -43.85 7.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.936 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.43 ' HA3' ' CE2' ' A' ' 42' ' ' TYR . . . -150.81 150.51 22.51 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 53.0 p -119.17 126.79 52.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.842 0.353 . . . . 0.0 110.832 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.409 ' HA ' ' HD2' ' A' ' 56' ' ' PRO . 21.6 mt -104.71 104.93 48.48 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.605 0.717 . . . . 0.0 111.166 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 55' ' ' ILE . 53.0 Cg_endo -69.84 100.87 0.86 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.68 2.253 . . . . 0.0 112.301 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 38.5 mt -93.6 42.76 1.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.1 tp -59.19 -64.05 1.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 52.4 m -130.89 39.57 3.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.426 ' O ' ' HB1' ' A' ' 108' ' ' ALA . 5.6 m-85 -78.82 161.87 26.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 78.2 ttt-85 -115.08 93.99 4.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.588 HG11 ' HG3' ' A' ' 104' ' ' MET . 6.5 t -95.53 129.39 45.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 64' ' ' ALA . . . -172.26 152.03 2.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.076 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 63' ' ' ALA . . . -35.59 150.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.075 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.788 HG11 HD12 ' A' ' 71' ' ' ILE . 3.9 m -62.96 171.32 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -99.47 155.18 36.8 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.599 0.714 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -2.59 10.45 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.645 2.23 . . . . 0.0 112.324 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 89.7 p -111.49 17.26 20.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -94.27 -43.36 8.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 74.15 52.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.788 HD12 HG11 ' A' ' 65' ' ' VAL . 74.5 mt -97.01 105.23 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.9 m -44.57 -39.84 5.25 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.541 ' HD2' ' CG ' ' A' ' 28' ' ' TRP . 38.1 mtp85 -68.74 137.83 54.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.818 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 75' ' ' HIS . 22.5 mtpp -90.83 -177.15 4.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.465 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 3.4 m-70 34.91 43.47 0.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.869 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.701 ' O ' HG22 ' A' ' 65' ' ' VAL . 89.3 m -106.93 142.33 36.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.124 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.577 ' CE2' ' HB2' ' A' ' 89' ' ' PHE . 3.3 p90 -125.82 158.64 34.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.7 pttt -115.01 150.12 36.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -129.92 107.64 9.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.081 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -141.33 124.19 16.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.409 ' HB2' ' CD1' ' A' ' 60' ' ' PHE . 0.2 OUTLIER -75.29 -75.25 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.843 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -175.25 110.63 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 53.37 38.94 58.36 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.49 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 41.6 t -125.02 -71.55 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 111.14 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 43.8 ttt180 -167.45 155.48 9.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 17.6 m -122.44 107.73 12.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.119 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -86.36 156.6 20.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.591 ' CE1' HD11 ' A' ' 71' ' ' ILE . 46.2 m-85 -130.96 119.76 22.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.577 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 56.1 m-85 -122.27 129.07 51.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 11.5 t -110.68 133.28 53.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.804 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -105.71 133.94 49.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -56.43 -39.92 73.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 72.3 m -117.74 151.95 49.23 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.668 0.746 . . . . 0.0 110.885 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.465 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 53.1 Cg_endo -69.84 -16.18 37.1 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.642 2.228 . . . . 0.0 112.365 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -78.63 -30.81 46.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -77.99 -40.23 39.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.876 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -48.68 -55.03 12.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -61.63 -55.43 30.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -43.12 -46.83 5.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.099 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.439 ' O ' ' C ' ' A' ' 101' ' ' ILE . 55.0 m95 -66.19 -65.34 0.69 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.439 ' C ' ' O ' ' A' ' 100' ' ' TRP . 81.8 mt -35.02 -39.06 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.1 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -79.41 -48.37 14.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.0 -55.7 31.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.588 ' HG3' HG11 ' A' ' 62' ' ' VAL . 4.7 ptm -74.3 -42.94 58.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -54.32 -53.36 38.43 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.481 ' HA ' ' NE ' ' A' ' 109' ' ' ARG . 4.0 pt-20 -53.44 -43.19 67.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.884 0.373 . . . . 0.0 110.906 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.533 ' HB1' ' HA ' ' A' ' 38' ' ' ARG . . . -52.12 -26.72 11.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.426 ' HB1' ' O ' ' A' ' 60' ' ' PHE . . . -76.92 -41.35 43.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.137 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.481 ' NE ' ' HA ' ' A' ' 106' ' ' GLU . 0.6 OUTLIER -49.3 158.04 0.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 97.5 t -128.03 107.81 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 63.12 44.31 5.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 63.6 p -82.27 -47.29 12.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -128.22 125.04 4.95 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 130.76 19.99 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.689 2.26 . . . . 0.0 112.321 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 4.9 t -71.17 -54.6 10.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.816 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 86.4 p -150.51 123.71 8.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.48 179.988 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 m -103.01 114.21 28.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.878 0.37 . . . . 0.0 110.825 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 t -90.68 138.54 31.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.4 151.04 29.22 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.474 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.4 p -121.04 175.87 5.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.913 0.387 . . . . 0.0 110.856 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.6 m -125.35 169.77 12.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.867 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 8' ' ' ASN . . . 89.91 79.8 1.34 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.473 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 7' ' ' GLY . 1.3 p30 -35.2 142.98 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.793 0.33 . . . . 0.0 110.929 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.725 ' HB1' ' HD2' ' A' ' 10' ' ' PRO . . . -116.62 164.81 16.98 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.613 0.721 . . . . 0.0 111.073 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.725 ' HD2' ' HB1' ' A' ' 9' ' ' ALA . 53.5 Cg_endo -69.79 167.58 24.08 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.671 2.247 . . . . 0.0 112.324 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 91.0 t -92.37 133.91 32.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.2 m -85.09 -55.11 4.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -149.65 143.69 25.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.45 ' HB1' ' CZ2' ' A' ' 32' ' ' TRP . . . -143.05 127.67 18.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -168.03 159.84 33.2 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.521 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.52 ' CE3' ' HE2' ' A' ' 30' ' ' LYS . 83.3 m95 -75.01 119.39 19.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.803 0.335 . . . . 0.0 110.895 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.49 HD11 ' CD2' ' A' ' 100' ' ' TRP . 29.4 mt -129.85 141.5 50.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -86.5 122.59 30.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.6 tttm -99.57 127.2 45.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -72.65 140.8 48.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.68 96.68 10.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 80.5 p -54.9 -26.4 35.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.3 t -122.72 136.49 54.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 120.68 -121.46 4.86 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.4 m -103.57 14.53 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.884 0.373 . . . . 0.0 111.087 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 55.99 36.95 28.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.8 pt20 -98.04 -179.64 4.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 36.6 m95 -112.76 144.84 41.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -131.93 108.14 9.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.52 ' HE2' ' CE3' ' A' ' 16' ' ' TRP . 81.8 tttt -46.12 136.66 6.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.7 tpp180 -155.17 148.74 25.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.45 ' CZ2' ' HB1' ' A' ' 14' ' ' ALA . 67.4 t-105 -80.92 121.82 26.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.413 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 45.5 m-85 -114.22 136.36 53.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.876 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 94.5 t -133.95 97.91 2.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.166 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.611 HD12 ' O ' ' A' ' 39' ' ' CYS . 24.9 tp -58.35 132.26 53.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.739 HG22 ' H ' ' A' ' 37' ' ' ASP . 1.2 p -123.85 -176.68 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.739 ' H ' HG22 ' A' ' 36' ' ' VAL . 2.6 m-20 -55.57 114.83 2.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.4 mtm180 40.26 38.27 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.611 ' O ' HD12 ' A' ' 35' ' ' LEU . 2.0 m -166.13 175.58 8.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.8 tp -150.71 127.47 10.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.942 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.595 ' CE1' ' HB2' ' A' ' 54' ' ' SER . 84.3 m-85 -118.09 154.55 31.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.531 ' CE1' ' O ' ' A' ' 53' ' ' GLY . 47.6 p90 -137.59 151.22 48.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.945 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.467 ' CD1' ' N ' ' A' ' 43' ' ' TYR . 2.0 m-85 -129.95 158.62 39.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.6 tttm -47.4 -48.05 26.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 46' ' ' GLU . 5.8 t70 -151.52 166.93 29.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.493 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 32.1 tt0 -44.32 -33.73 1.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -37.93 -35.46 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.911 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.426 ' OE2' ' CE1' ' A' ' 43' ' ' TYR . 18.0 mm-40 62.12 45.9 6.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.863 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -67.32 -57.15 7.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 67.6 m -155.71 151.1 26.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.412 HG12 ' CE2' ' A' ' 43' ' ' TYR . 85.0 mt -76.07 128.02 37.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.165 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.5 mp -88.21 -35.05 17.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.531 ' O ' ' CE1' ' A' ' 42' ' ' TYR . . . -167.92 153.08 22.04 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.595 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 12.0 p -112.3 149.99 31.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.927 0.394 . . . . 0.0 110.815 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 66.3 mt -121.82 117.37 29.88 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.637 0.732 . . . . 0.0 111.103 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 125.52 12.23 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.683 2.255 . . . . 0.0 112.357 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 58' ' ' LEU . 23.3 mt -120.99 22.78 10.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 57' ' ' LEU . 1.7 tp -34.73 -69.28 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 68.0 m -129.06 7.4 5.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.587 ' CZ ' ' HB2' ' A' ' 81' ' ' HIS . 8.0 m-85 -40.68 141.94 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -98.36 101.31 12.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.775 HG21 ' HG3' ' A' ' 104' ' ' MET . 32.5 t -96.38 129.07 46.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -171.0 161.24 6.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.39 138.46 7.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 76' ' ' THR . 7.5 m -52.53 179.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.133 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -110.39 160.23 29.22 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.562 0.696 . . . . 0.0 110.917 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -16.37 37.54 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.71 2.273 . . . . 0.0 112.333 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.9 m -80.7 -19.82 44.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.831 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -80.9 -24.59 38.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.826 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 13.6 m120 44.07 45.89 6.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 10.9 mm -57.52 129.35 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.106 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.431 ' O ' ' CG ' ' A' ' 73' ' ' ARG . 68.3 m -79.01 46.31 0.69 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.431 ' CG ' ' O ' ' A' ' 72' ' ' SER . 51.1 mtp85 -162.46 128.72 3.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.4 mmmt -76.38 162.58 27.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.496 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 2.7 m-70 51.86 52.12 15.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.471 ' O ' HG22 ' A' ' 65' ' ' VAL . 7.1 m -117.27 145.38 44.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.099 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.585 ' CD1' ' N ' ' A' ' 77' ' ' PHE . 0.3 OUTLIER -131.79 162.47 30.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.506 ' HB3' ' CE2' ' A' ' 88' ' ' PHE . 39.7 pttt -123.96 138.81 54.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.919 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.406 ' CB ' HG22 ' A' ' 62' ' ' VAL . . . -126.47 102.92 7.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -121.04 154.48 36.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.587 ' HB2' ' CZ ' ' A' ' 60' ' ' PHE . 9.8 t60 -101.61 162.93 12.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -37.88 99.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.062 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 49.67 50.14 32.02 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.48 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.788 HG12 ' H ' ' A' ' 85' ' ' ARG . 1.3 t -135.06 -172.05 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.832 0.349 . . . . 0.0 111.115 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.788 ' H ' HG12 ' A' ' 84' ' ' VAL . 1.8 ttt-85 -41.57 161.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.2 m -124.3 105.52 9.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -85.76 150.81 24.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.506 ' CE2' ' HB3' ' A' ' 78' ' ' LYS . 40.6 m-85 -137.94 123.55 19.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.862 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.567 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 72.6 m-85 -121.45 140.58 51.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.7 t -119.84 130.83 55.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -104.86 126.61 52.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.095 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -53.05 -40.41 63.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.2 m -111.62 150.72 42.62 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.702 0.763 . . . . 0.0 110.848 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.496 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 53.9 Cg_endo -69.78 -29.97 22.93 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.713 2.275 . . . . 0.0 112.369 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -68.33 -25.53 65.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -80.71 -52.49 7.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -38.92 -59.8 0.93 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -58.69 -46.6 86.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -52.22 -45.04 65.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.088 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.49 ' CD2' HD11 ' A' ' 17' ' ' LEU . 64.1 m95 -68.9 -55.24 11.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.471 HD11 ' HB3' ' A' ' 77' ' ' PHE . 61.8 mt -43.1 -33.62 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.097 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -85.48 -51.49 6.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.81 -65.97 0.47 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.119 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.775 ' HG3' HG21 ' A' ' 62' ' ' VAL . 3.5 ptm -67.25 -27.23 67.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -63.26 -47.95 83.53 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.431 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 4.7 pt-20 -58.24 -44.13 88.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.824 0.345 . . . . 0.0 110.882 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.431 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -48.51 -33.58 9.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 60' ' ' PHE . . . -74.35 -43.19 57.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 33.0 mtp85 -44.43 149.61 0.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 12.9 p -118.9 136.34 56.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.098 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -124.34 131.44 53.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 20.8 m -112.36 148.7 33.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -38.55 -67.21 0.56 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.521 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 91.26 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.636 2.224 . . . . 0.0 112.343 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 74.1 m -75.97 86.32 2.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 51.7 p -51.72 161.36 0.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.867 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 -179.96 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 m -74.46 107.05 6.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.879 0.371 . . . . 0.0 110.887 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.6 m -43.69 -44.06 6.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.46 158.56 20.71 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.6 p -130.77 155.52 46.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.868 0.366 . . . . 0.0 110.86 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m 52.2 45.14 28.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.57 -68.7 0.41 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.523 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -94.22 135.2 35.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.838 0.352 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -139.56 147.42 52.09 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.594 0.712 . . . . 0.0 111.07 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 178.92 4.1 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.679 2.253 . . . . 0.0 112.312 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 62.2 t -102.14 138.1 27.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.152 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.6 m -84.02 -55.28 4.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.2 tttp -148.78 149.08 30.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -155.69 134.75 12.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.09 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.543 ' HA2' ' CZ3' ' A' ' 32' ' ' TRP . . . -176.59 163.77 33.06 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.494 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.454 ' CH2' ' HA ' ' A' ' 45' ' ' ASP . 95.0 m95 -73.57 117.31 15.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.809 0.338 . . . . 0.0 110.906 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.584 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 25.0 mt -128.2 139.67 52.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.47 ' CE2' ' HB2' ' A' ' 30' ' ' LYS . 3.6 m-85 -91.22 119.15 31.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.897 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.2 tttm -100.34 119.57 38.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -51.58 130.31 27.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.09 149.37 41.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.075 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.4 t -101.36 -62.41 1.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 88.6 p -94.02 112.47 24.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 117.95 -172.9 14.58 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.544 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.0 m -48.32 145.22 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.903 0.382 . . . . 0.0 111.099 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -74.16 81.55 1.79 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -121.25 168.4 11.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.49 ' CD1' ' HD2' ' A' ' 73' ' ' ARG . 71.1 m95 -110.31 122.78 48.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -107.16 122.33 46.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.47 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . 21.2 tttm -68.23 126.39 29.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.7 tpp180 -142.93 150.88 40.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.543 ' CZ3' ' HA2' ' A' ' 15' ' ' GLY . 62.1 t-105 -81.2 123.13 28.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.584 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 38.0 m-85 -113.96 138.26 50.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.845 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 59.4 t -136.8 104.97 3.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.153 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.896 HD12 ' O ' ' A' ' 39' ' ' CYS . 21.6 tp -73.33 120.0 18.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.735 HG22 ' H ' ' A' ' 37' ' ' ASP . 1.2 p -110.34 -177.09 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.118 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.735 ' H ' HG22 ' A' ' 36' ' ' VAL . 8.5 p-10 -43.73 115.73 0.85 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 37' ' ' ASP . 52.2 mtt180 35.68 32.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.896 ' O ' HD12 ' A' ' 35' ' ' LEU . 4.0 m -154.06 172.12 18.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.0 tp -150.68 120.86 7.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.582 ' CE2' ' HB2' ' A' ' 54' ' ' SER . 79.7 m-85 -117.77 146.22 43.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.594 ' CE2' ' HB2' ' A' ' 52' ' ' LEU . 42.9 p90 -122.55 152.12 40.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.531 ' CD1' ' N ' ' A' ' 43' ' ' TYR . 0.5 OUTLIER -139.46 168.8 19.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.958 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.496 ' HD2' HD11 ' A' ' 52' ' ' LEU . 1.8 mptp? -54.07 -43.77 70.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.454 ' HA ' ' CH2' ' A' ' 16' ' ' TRP . 3.2 m-20 -156.04 -175.41 5.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -48.0 -32.03 6.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 48' ' ' GLU . 37.7 mttp -45.03 -34.94 2.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.52 ' HA ' ' CG ' ' A' ' 43' ' ' TYR . 12.6 pt-20 34.54 44.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -88.52 -32.38 18.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.6 t -123.42 121.56 36.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.824 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.44 HG12 ' CE2' ' A' ' 43' ' ' TYR . 97.4 mt -78.0 131.65 34.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.098 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.594 ' HB2' ' CE2' ' A' ' 42' ' ' TYR . 10.9 mt -95.33 -47.48 6.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.942 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -155.62 154.05 25.23 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.524 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.582 ' HB2' ' CE2' ' A' ' 41' ' ' PHE . 21.8 p -116.98 136.73 52.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.796 0.331 . . . . 0.0 110.876 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.426 ' HA ' ' HD2' ' A' ' 56' ' ' PRO . 59.1 mt -118.87 104.88 46.21 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.602 0.715 . . . . 0.0 111.161 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.469 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 54.1 Cg_endo -69.7 93.55 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.365 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.564 HD13 ' HB2' ' A' ' 104' ' ' MET . 84.7 mt -83.29 56.88 3.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.957 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.3 tp -88.05 -58.95 2.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.8 t -127.44 47.18 2.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.469 ' CE1' ' O ' ' A' ' 56' ' ' PRO . 9.5 m-85 -91.05 166.04 13.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 58.5 ttt180 -117.49 94.58 4.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.8 t -94.34 130.46 43.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 64' ' ' ALA . . . -175.11 148.07 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 63' ' ' ALA . . . -36.59 132.05 0.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.08 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.422 HG21 HG21 ' A' ' 71' ' ' ILE . 17.3 m -49.68 162.92 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -96.64 158.16 34.1 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.624 0.726 . . . . 0.0 110.93 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 1.59 4.29 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.722 2.282 . . . . 0.0 112.306 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 91.2 p -132.19 46.72 2.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -125.91 10.61 7.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.1 m120 59.92 36.74 21.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.422 HG21 HG21 ' A' ' 65' ' ' VAL . 32.5 mm -97.34 89.37 2.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.153 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 71.0 m -85.18 42.64 0.95 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.49 ' HD2' ' CD1' ' A' ' 28' ' ' TRP . 25.1 mtp85 -142.68 134.05 26.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.3 mtmm -80.47 158.13 25.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.505 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 3.5 m-70 58.78 46.48 14.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.635 HG23 ' O ' ' A' ' 89' ' ' PHE . 23.8 m -122.07 145.87 47.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.096 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -129.66 167.21 18.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.821 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.6 pttp -123.6 147.07 47.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -137.37 109.27 7.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.528 ' HB3' HG23 ' A' ' 86' ' ' THR . 3.0 pt-20 -135.62 148.37 48.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.414 ' CG ' ' H ' ' A' ' 82' ' ' ALA . 4.2 t-80 -79.34 -175.36 4.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.414 ' H ' ' CG ' ' A' ' 81' ' ' HIS . . . -82.33 37.72 0.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.104 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 125.32 47.34 0.22 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.439 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 85.0 t -130.46 -74.87 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.848 0.356 . . . . 0.0 111.153 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.403 ' HG3' ' N ' ' A' ' 86' ' ' THR . 6.1 tpm_? -157.48 151.23 24.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.528 HG23 ' HB3' ' A' ' 80' ' ' GLU . 23.6 m -103.99 140.8 37.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.17 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -121.25 155.83 33.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.942 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -140.15 124.63 17.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.635 ' O ' HG23 ' A' ' 76' ' ' THR . 39.2 m-85 -130.84 131.34 44.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.6 t -106.95 130.67 54.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.837 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -100.94 132.13 46.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -50.04 -46.74 53.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.9 m -111.46 159.82 31.64 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.663 0.744 . . . . 0.0 110.827 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.505 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 54.2 Cg_endo -69.74 -31.82 19.88 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.714 2.276 . . . . 0.0 112.359 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -61.04 -40.57 94.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 97' ' ' GLN . 6.1 mt-10 -66.18 -55.3 16.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 96' ' ' GLU . 10.4 tt0 -37.7 -63.78 0.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -56.27 -49.04 75.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -46.69 -50.67 17.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.081 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.573 ' CE2' HD11 ' A' ' 17' ' ' LEU . 70.8 m95 -61.51 -57.76 10.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.951 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 96.8 mt -38.93 -31.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -91.53 -51.55 5.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -49.62 -60.12 3.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.564 ' HB2' HD13 ' A' ' 57' ' ' LEU . 17.3 ptp -76.63 -35.83 57.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.869 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.435 ' N ' ' HG3' ' A' ' 104' ' ' MET . . . -56.34 -42.61 89.23 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.451 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -65.2 -38.66 91.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.862 0.363 . . . . 0.0 110.874 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -68.9 -23.62 64.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.078 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -92.3 -36.65 13.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -75.59 175.64 8.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 92.6 t -149.41 129.81 4.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 11.4 tp60 -137.25 124.84 22.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 21.2 t -66.38 137.74 57.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.825 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.414 ' HA3' ' HD2' ' A' ' 114' ' ' PRO . . . -103.78 -144.32 13.48 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.523 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' PRO . . . . . 0.414 ' HD2' ' HA3' ' A' ' 113' ' ' GLY . 53.7 Cg_endo -69.75 2.58 3.4 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.707 2.271 . . . . 0.0 112.345 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 37.3 p 54.76 37.22 28.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 97.6 p -84.6 -40.83 17.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.837 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.495 179.992 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.7 m -65.11 144.53 57.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.836 0.351 . . . . 0.0 110.884 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 t -87.74 99.91 12.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.873 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.01 -83.01 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 t -98.89 170.86 8.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.829 0.347 . . . . 0.0 110.878 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.3 t -106.27 -52.97 2.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.46 120.3 4.71 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.529 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -94.73 88.68 5.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.81 0.338 . . . . 0.0 110.882 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -89.71 146.87 36.39 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.589 0.709 . . . . 0.0 111.08 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 153.87 68.35 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.663 2.242 . . . . 0.0 112.29 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.4 p -64.15 148.02 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.6 m -97.16 -51.47 4.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.9 tttp -152.06 146.11 25.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.424 ' HB1' ' CZ2' ' A' ' 32' ' ' TRP . . . -149.87 127.12 11.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -169.36 163.49 37.11 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.465 ' CE3' ' HE2' ' A' ' 30' ' ' LYS . 95.4 m95 -75.4 115.57 15.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.813 0.339 . . . . 0.0 110.901 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.8 mt -125.24 139.23 53.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -89.89 118.81 29.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.5 tttm -96.79 127.27 42.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -66.03 134.86 53.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.915 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.56 128.06 34.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.081 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 89.1 p -75.74 -47.68 24.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.6 m -103.83 163.38 12.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 67.29 -167.14 40.45 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.514 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 p -46.44 164.01 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 0.0 111.084 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.4 mmtp -96.87 86.86 4.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -123.52 -177.3 3.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 65.6 m95 -123.82 126.08 45.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -111.76 121.64 45.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.465 ' HE2' ' CE3' ' A' ' 16' ' ' TRP . 81.0 tttt -63.39 137.88 58.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 -157.71 148.34 20.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.424 ' CZ2' ' HB1' ' A' ' 14' ' ' ALA . 70.5 t-105 -79.93 117.96 21.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.607 ' HD2' HD21 ' A' ' 40' ' ' LEU . 28.8 m-85 -111.82 131.41 55.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 94.7 t -129.43 104.11 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.171 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.408 HD12 ' N ' ' A' ' 36' ' ' VAL . 15.0 tp -61.53 132.66 54.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.719 HG22 ' H ' ' A' ' 37' ' ' ASP . 0.8 OUTLIER -125.81 -173.41 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.139 179.855 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.719 ' H ' HG22 ' A' ' 36' ' ' VAL . 7.3 t0 -55.11 121.97 9.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.49 ' C ' ' O ' ' A' ' 37' ' ' ASP . 7.4 mtt85 30.27 38.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.508 ' HB3' ' CG1' ' A' ' 36' ' ' VAL . 1.6 t -168.96 171.99 7.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.607 HD21 ' HD2' ' A' ' 33' ' ' PHE . 27.5 tp -145.17 139.96 27.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -127.01 150.03 49.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.534 ' CE2' ' HA3' ' A' ' 53' ' ' GLY . 43.4 p90 -130.94 144.16 51.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.54 ' CD2' ' HA ' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -130.34 162.09 29.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.912 -179.887 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.3 tttm -55.36 -42.47 73.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.885 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.79 177.53 9.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.846 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -51.57 -25.46 6.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.479 ' O ' ' C ' ' A' ' 48' ' ' GLU . 20.0 mmtm -48.05 -32.28 6.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.54 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 2.4 pp20? 32.02 37.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 47' ' ' LYS . 7.0 mm-40 -72.7 -35.4 67.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 83.0 p -139.02 126.54 21.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.1 mt -69.04 141.38 17.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.433 ' HB2' ' CE1' ' A' ' 42' ' ' TYR . 22.7 mt -103.54 -43.43 5.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.964 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.534 ' HA3' ' CE2' ' A' ' 42' ' ' TYR . . . -146.43 151.18 23.47 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.462 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 84.3 p -117.11 136.5 52.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.87 0.367 . . . . 0.0 110.854 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 17.5 mt -119.54 106.07 42.81 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.653 0.739 . . . . 0.0 111.123 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 97.33 0.63 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.73 2.286 . . . . 0.0 112.356 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 13.9 mt -81.02 41.91 0.61 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.3 tp -92.91 113.23 25.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 m 63.93 39.57 8.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.436 ' CD1' ' HB2' ' A' ' 81' ' ' HIS . 7.2 m-85 -103.67 142.79 33.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.821 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 39.3 ttp180 -99.21 111.67 24.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.879 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.3 t -106.43 131.54 55.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.159 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -174.25 158.75 3.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.43 143.43 6.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.057 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.658 HG22 ' O ' ' A' ' 76' ' ' THR . 30.3 m -66.2 -178.15 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -129.48 161.34 59.5 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.655 0.741 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 2.01 3.95 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.686 2.258 . . . . 0.0 112.336 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.1 t -103.34 -13.39 16.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.888 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -89.22 21.25 3.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.908 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.477 ' ND2' ' O ' ' A' ' 70' ' ' ASN . 1.1 p-10 41.02 45.64 2.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.641 HG21 HG21 ' A' ' 65' ' ' VAL . 13.4 mm -101.7 85.66 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.0 m -77.31 53.85 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.831 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 26.7 mtp85 -151.61 126.45 9.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.7 mtmt -71.68 174.54 6.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 2.8 m170 39.16 44.4 0.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.658 ' O ' HG22 ' A' ' 65' ' ' VAL . 4.2 m -117.84 129.56 55.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.423 ' CZ ' ' HB2' ' A' ' 89' ' ' PHE . 13.0 p90 -120.92 159.89 24.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.474 ' HB3' HG12 ' A' ' 65' ' ' VAL . 41.3 pttt -125.76 147.06 49.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -121.09 107.42 12.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.179 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 62.6 tt0 -131.53 136.89 48.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.841 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.436 ' HB2' ' CD1' ' A' ' 60' ' ' PHE . 0.1 OUTLIER -98.7 -74.85 0.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 83' ' ' GLY . . . -164.16 105.79 0.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.082 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 82' ' ' ALA . . . 34.07 43.78 0.34 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.53 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.59 HG13 ' N ' ' A' ' 85' ' ' ARG . 9.5 p -121.18 -51.09 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.808 0.337 . . . . 0.0 111.112 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.59 ' N ' HG13 ' A' ' 84' ' ' VAL . 8.4 ttm180 -170.86 151.15 3.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.413 HG22 ' CE1' ' A' ' 88' ' ' PHE . 15.4 m -128.55 100.93 5.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -85.97 160.28 19.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.413 ' CE1' HG22 ' A' ' 86' ' ' THR . 87.1 m-85 -142.42 134.46 27.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.856 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.45 ' O ' HG23 ' A' ' 76' ' ' THR . 30.3 m-85 -137.81 140.4 40.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 16.1 t -119.04 107.69 13.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.24 129.53 35.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -51.6 -44.86 62.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.4 m -112.3 157.31 40.35 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.663 0.744 . . . . 0.0 110.845 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.72 -33.94 15.71 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.704 2.269 . . . . 0.0 112.322 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -62.45 -31.48 72.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -75.18 -48.58 22.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -42.69 -65.75 0.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.957 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -53.09 -48.71 67.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -49.91 -46.25 51.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 59.6 m95 -66.84 -58.8 4.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 59.6 mt -39.23 -34.51 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -88.45 -47.01 8.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.2 -61.91 1.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 6.2 ptp -76.04 -21.8 56.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -68.73 -46.18 62.27 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.503 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.411 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 6.9 pt-20 -61.3 -43.11 99.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.851 0.358 . . . . 0.0 110.861 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.411 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -51.62 -30.65 22.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.122 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.14 -43.41 70.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.079 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -49.19 151.4 1.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.412 ' O ' ' C ' ' A' ' 111' ' ' GLN . 99.8 t -129.0 95.13 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.176 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 110' ' ' VAL . 30.6 tp60 -36.88 -55.17 0.91 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.6 t -172.2 110.53 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -113.79 -103.01 2.54 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.496 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -44.61 1.97 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.697 2.265 . . . . 0.0 112.325 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 13.4 t -143.1 151.15 40.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.0 m -44.84 160.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.89 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.521 -179.997 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -77.55 168.86 19.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.854 0.359 . . . . 0.0 110.896 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 t -121.42 171.91 8.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.81 137.02 13.93 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.517 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t -121.09 168.89 11.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.84 0.353 . . . . 0.0 110.87 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.6 t -78.04 153.32 32.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.61 159.31 30.45 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.441 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 39.7 42.4 0.96 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.886 0.374 . . . . 0.0 110.938 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.443 ' HB1' ' HD2' ' A' ' 10' ' ' PRO . . . -97.73 156.05 36.49 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.611 0.72 . . . . 0.0 111.075 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.443 ' HD2' ' HB1' ' A' ' 9' ' ' ALA . 53.6 Cg_endo -69.69 168.09 22.47 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.692 2.262 . . . . 0.0 112.371 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 85.3 t -96.37 131.64 42.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.113 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.8 m -83.85 -54.89 4.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.5 tttp -151.27 151.55 31.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -155.27 135.1 12.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.074 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -171.8 168.34 41.43 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.46 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.463 ' CE3' ' HE2' ' A' ' 30' ' ' LYS . 93.3 m95 -78.14 118.14 20.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.777 0.322 . . . . 0.0 110.921 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.558 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 60.2 mt -131.2 141.52 50.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.951 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -90.91 131.11 36.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -104.69 110.37 22.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -51.08 129.06 23.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.67 ' HB3' ' O ' ' A' ' 25' ' ' VAL . . . -53.56 161.8 0.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.108 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.7 t -76.1 -177.62 4.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.8 t -46.31 111.3 0.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 136.25 -110.65 0.81 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.49 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.681 ' O ' HG23 ' A' ' 25' ' ' VAL . 24.3 m -57.86 107.84 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.909 0.385 . . . . 0.0 111.131 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.61 44.66 0.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.929 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -112.03 147.74 35.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 30.7 m95 -98.04 145.58 26.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 -126.67 109.57 12.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.934 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.463 ' HE2' ' CE3' ' A' ' 16' ' ' TRP . 74.7 tttt -51.24 140.12 17.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.49 148.5 23.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.469 ' CD1' ' HA ' ' A' ' 46' ' ' GLU . 65.5 t-105 -81.59 123.35 28.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.558 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 50.7 m-85 -114.41 146.11 41.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 60.3 t -143.82 106.49 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.418 HD12 ' O ' ' A' ' 39' ' ' CYS . 45.2 tp -63.17 131.48 48.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.96 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.728 HG22 ' H ' ' A' ' 37' ' ' ASP . 0.9 OUTLIER -129.0 -173.73 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.152 179.86 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.728 ' H ' HG22 ' A' ' 36' ' ' VAL . 1.3 m-20 -49.32 115.49 1.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.469 ' C ' ' O ' ' A' ' 37' ' ' ASP . 12.7 mtm105 30.75 43.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.52 ' HB3' ' CG1' ' A' ' 36' ' ' VAL . 1.2 t -166.6 170.82 12.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.5 tp -143.97 123.46 13.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.534 ' CE1' ' HB2' ' A' ' 54' ' ' SER . 82.7 m-85 -110.64 149.6 30.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.7 p90 -132.49 139.94 48.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.566 ' CE2' HG12 ' A' ' 51' ' ' ILE . 0.3 OUTLIER -128.93 163.71 24.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.9 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.871 ' HG2' HD11 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -47.45 -43.47 24.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.926 179.898 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -153.23 -176.16 5.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.469 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 8.9 pt-20 -50.91 -33.7 25.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -43.17 -38.36 2.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.507 ' HA ' ' CG ' ' A' ' 43' ' ' TYR . 14.6 pt-20 41.1 33.68 0.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -65.44 -40.13 92.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 41.5 t -133.97 139.81 46.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.566 HG12 ' CE2' ' A' ' 43' ' ' TYR . 44.5 mt -87.31 135.73 24.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.147 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.871 HD11 ' HG2' ' A' ' 44' ' ' LYS . 6.2 mt -103.34 -46.62 4.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -151.56 146.41 15.18 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.475 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.534 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 10.9 t -114.65 159.89 19.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.841 0.353 . . . . 0.0 110.883 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 29.2 mt -132.01 118.08 16.26 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.646 0.736 . . . . 0.0 111.137 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.557 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 53.6 Cg_endo -69.73 118.25 5.57 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.703 2.269 . . . . 0.0 112.315 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 57' ' ' LEU . 19.4 mt -108.8 53.3 0.69 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.912 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.446 ' O ' ' NE2' ' A' ' 81' ' ' HIS . 21.6 tp -101.15 111.15 23.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.5 t 60.93 26.43 16.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.637 ' N ' ' HB1' ' A' ' 108' ' ' ALA . 5.2 m-85 -76.08 158.15 32.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -110.67 93.51 4.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.58 HG11 ' SD ' ' A' ' 104' ' ' MET . 11.0 t -97.01 123.59 49.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.409 ' HA ' HG23 ' A' ' 101' ' ' ILE . . . -168.11 146.4 4.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.061 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 63' ' ' ALA . . . -36.41 139.73 0.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.771 HG22 ' O ' ' A' ' 76' ' ' THR . 4.4 m -50.93 179.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.453 ' CD ' ' HD2' ' A' ' 67' ' ' PRO . 5.0 mm-40 -111.05 161.86 23.2 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.647 0.737 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.453 ' HD2' ' CD ' ' A' ' 66' ' ' GLN . 53.8 Cg_endo -69.7 -21.58 33.55 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.735 2.29 . . . . 0.0 112.378 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 83.7 p -75.03 -28.41 60.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.822 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -74.59 -32.9 62.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 50.13 51.01 17.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.648 HG13 HG11 ' A' ' 65' ' ' VAL . 15.7 mm -62.81 111.19 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.9 t -38.59 -55.55 1.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 40.8 mtp85 -65.88 141.65 58.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 75' ' ' HIS . 28.8 mttp -85.91 -177.24 6.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.938 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 74' ' ' LYS . 2.6 m-70 34.54 53.26 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.849 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.771 ' O ' HG22 ' A' ' 65' ' ' VAL . 90.7 m -116.34 138.19 51.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.086 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.486 ' CZ ' ' HB2' ' A' ' 89' ' ' PHE . 18.3 p90 -121.15 160.7 23.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.845 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 36.4 pttt -119.43 141.73 48.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -133.72 108.92 8.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.424 ' HB3' HG23 ' A' ' 86' ' ' THR . 3.7 pm0 -128.21 156.3 43.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.553 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 9.2 t-160 -90.16 11.98 19.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.553 ' HB3' ' O ' ' A' ' 81' ' ' HIS . . . 75.0 52.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 135.78 -60.53 0.63 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.487 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 46.1 t -41.19 -73.23 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.855 0.36 . . . . 0.0 111.156 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 26.9 ttm180 -162.49 155.23 19.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.424 HG23 ' HB3' ' A' ' 80' ' ' GLU . 35.6 m -112.07 131.64 55.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -106.71 139.71 40.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -118.08 118.95 33.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.769 ' O ' HG23 ' A' ' 76' ' ' THR . 64.8 m-85 -123.32 135.08 54.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 42.5 t -112.14 132.07 55.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.827 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -104.92 126.92 52.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.121 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -48.3 -40.86 26.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.945 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.7 m -117.68 154.51 50.93 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.685 0.755 . . . . 0.0 110.849 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -26.69 27.36 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.674 2.249 . . . . 0.0 112.318 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -68.81 -35.86 77.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -72.25 -44.74 62.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -47.13 -60.45 2.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -56.49 -49.49 74.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -49.4 -46.32 47.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.104 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 54.1 m95 -66.88 -55.08 16.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.409 HG23 ' HA ' ' A' ' 63' ' ' ALA . 81.8 mt -41.69 -34.88 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.149 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -87.12 -50.62 6.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -51.3 -57.63 8.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.1 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.58 ' SD ' HG11 ' A' ' 62' ' ' VAL . 5.2 ptp -80.28 -17.24 52.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -71.27 -43.82 54.24 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.506 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.412 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 5.0 pt-20 -66.2 -42.44 88.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.926 0.393 . . . . 0.0 110.925 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.412 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -51.85 -31.69 28.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.077 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.637 ' HB1' ' N ' ' A' ' 60' ' ' PHE . . . -70.89 -44.53 66.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.099 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 -47.32 165.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.861 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.415 ' O ' HG13 ' A' ' 110' ' ' VAL . 8.9 p -126.91 126.5 68.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.117 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -54.81 93.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.0 m -54.37 137.73 41.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 117.64 179.95 17.34 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.508 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -15.9 37.03 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.662 2.241 . . . . 0.0 112.338 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.3 t -38.24 -55.65 1.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 37.2 p 41.7 43.19 2.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.488 179.997 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.1 t -53.39 168.53 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 110.871 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.2 m -94.27 -46.56 7.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.53 105.08 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.482 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.6 p -51.98 155.78 1.73 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.916 0.389 . . . . 0.0 110.836 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.0 p -158.73 156.44 29.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.843 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.12 -108.49 2.49 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.466 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -155.38 128.01 7.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.83 0.348 . . . . 0.0 110.889 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.421 ' HB1' ' HD2' ' A' ' 10' ' ' PRO . . . -97.67 155.49 37.14 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.578 0.704 . . . . 0.0 111.119 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.421 ' HD2' ' HB1' ' A' ' 9' ' ' ALA . 53.8 Cg_endo -69.75 172.42 12.66 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.658 2.239 . . . . 0.0 112.328 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.6 p -80.28 142.61 13.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.1 m -92.97 -47.76 6.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.0 tttp -154.73 158.31 39.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -162.66 132.73 4.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.098 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -171.32 163.02 35.79 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.525 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.579 ' CE3' ' HE2' ' A' ' 30' ' ' LYS . 97.4 m95 -75.62 109.5 9.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.785 0.326 . . . . 0.0 110.899 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.546 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 33.6 mt -118.82 140.05 50.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -89.92 120.35 31.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.2 tttm -98.47 130.23 45.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -70.01 137.47 51.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.99 171.57 7.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.053 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.5 m -84.02 177.69 8.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.6 t -39.12 157.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 104.4 -95.81 1.19 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.514 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.3 m -98.16 123.84 50.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.887 0.375 . . . . 0.0 111.105 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.404 ' N ' ' HD2' ' A' ' 26' ' ' LYS . 1.1 mptp? -85.18 91.16 8.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -139.54 157.29 46.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.517 ' CE2' ' HD3' ' A' ' 73' ' ' ARG . 61.6 m95 -110.87 124.72 52.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.923 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -106.99 122.52 46.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.579 ' HE2' ' CE3' ' A' ' 16' ' ' TRP . 79.4 tttt -70.1 129.24 38.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -145.94 152.19 39.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.409 ' CD1' ' HA ' ' A' ' 46' ' ' GLU . 56.3 t-105 -78.98 115.18 18.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.937 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.546 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 41.2 m-85 -107.06 136.76 46.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 93.4 t -135.2 112.29 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.461 HD12 ' H ' ' A' ' 36' ' ' VAL . 32.6 tp -73.76 148.78 42.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.882 HG12 ' O ' ' A' ' 39' ' ' CYS . 8.9 p -131.62 174.01 13.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.137 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.732 ' H ' HG22 ' A' ' 36' ' ' VAL . 4.2 t0 -28.02 -73.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -132.48 52.25 2.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.882 ' O ' HG12 ' A' ' 36' ' ' VAL . 1.7 t -175.74 170.67 2.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.8 tp -135.31 129.82 34.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.53 ' CE2' ' HB2' ' A' ' 54' ' ' SER . 86.8 m-85 -121.35 148.71 44.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.572 ' CE1' ' HB2' ' A' ' 52' ' ' LEU . 50.6 p90 -129.36 148.15 51.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.574 ' CE2' HG12 ' A' ' 51' ' ' ILE . 0.4 OUTLIER -132.97 158.91 41.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.952 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.417 ' HG2' HD11 ' A' ' 52' ' ' LEU . 3.8 mmmp? -45.13 -46.48 11.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.8 p-10 -151.56 171.17 18.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.409 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 11.3 pt-20 -45.35 -35.94 3.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -42.58 -36.1 1.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.514 ' HG2' ' CG ' ' A' ' 43' ' ' TYR . 22.5 mt-10 58.34 39.13 25.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -53.44 -47.63 69.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.4 m -152.22 160.93 43.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.574 HG12 ' CE2' ' A' ' 43' ' ' TYR . 72.5 mt -93.94 128.78 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.131 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.572 ' HB2' ' CE1' ' A' ' 42' ' ' TYR . 11.4 mt -88.9 -48.19 7.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.458 ' O ' ' CE2' ' A' ' 42' ' ' TYR . . . -160.43 151.18 21.68 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.53 ' HB2' ' CE2' ' A' ' 41' ' ' PHE . 26.0 t -110.27 148.88 31.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.867 0.365 . . . . 0.0 110.821 -179.709 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.679 HG23 ' CZ ' ' A' ' 87' ' ' TYR . 29.9 mt -118.1 117.68 34.98 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.643 0.735 . . . . 0.0 111.095 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.585 ' O ' ' CE2' ' A' ' 60' ' ' PHE . 54.2 Cg_endo -69.75 134.19 27.42 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.686 2.258 . . . . 0.0 112.357 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.405 ' O ' ' CD1' ' A' ' 60' ' ' PHE . 48.1 mt -113.8 -29.48 7.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 57' ' ' LEU . 17.9 tp -37.17 104.04 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.1 t 74.69 54.81 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.781 ' H ' ' HB1' ' A' ' 108' ' ' ALA . 5.0 m-85 -122.36 145.05 48.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.833 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -95.66 96.56 9.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 44.9 t -98.82 126.87 51.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.14 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -175.33 155.46 1.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.26 137.04 2.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.88 HG21 HG21 ' A' ' 71' ' ' ILE . 33.9 m -59.8 -175.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -134.72 161.0 66.33 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.553 0.692 . . . . 0.0 110.94 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 0.71 5.24 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.676 2.251 . . . . 0.0 112.365 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 m -98.88 -18.57 17.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -88.34 14.58 9.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.3 t30 52.03 38.45 24.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.88 HG21 HG21 ' A' ' 65' ' ' VAL . 34.3 mm -95.07 85.36 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 46.0 m -84.37 39.9 0.75 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.834 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.517 ' HD3' ' CE2' ' A' ' 28' ' ' TRP . 13.7 mtp180 -128.74 122.2 30.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.842 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.06 151.51 46.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.4 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 2.5 m-70 59.55 45.97 12.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.518 HG23 ' O ' ' A' ' 89' ' ' PHE . 18.2 m -121.68 144.15 48.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.174 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.575 ' CZ ' ' HB2' ' A' ' 89' ' ' PHE . 19.7 p90 -132.56 159.76 38.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -117.11 147.45 42.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -133.42 105.44 6.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.145 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -142.7 132.25 23.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -74.73 -72.94 0.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -174.46 105.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.098 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 56.65 32.54 61.6 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.51 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.426 HG12 ' N ' ' A' ' 85' ' ' ARG . 22.9 t -116.14 -72.19 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.814 0.34 . . . . 0.0 111.171 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.426 ' N ' HG12 ' A' ' 84' ' ' VAL . 27.7 ttm180 -165.58 141.44 5.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.859 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.7 m -110.19 105.77 14.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.679 ' CZ ' HG23 ' A' ' 55' ' ' ILE . 72.3 m-85 -84.53 124.5 31.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.92 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -103.53 130.27 50.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.575 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . 55.0 m-85 -135.46 134.32 39.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.895 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 41.5 t -116.96 110.61 18.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.14 136.61 42.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.086 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -53.67 -41.41 66.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.1 m -121.57 157.07 57.6 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.706 0.765 . . . . 0.0 110.834 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.4 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 53.7 Cg_endo -69.77 -18.86 36.72 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.654 2.236 . . . . 0.0 112.319 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -72.45 -37.17 68.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 97' ' ' GLN . 12.6 mm-40 -77.67 -47.95 17.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.874 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 96' ' ' GLU . 14.7 tt0 -34.83 -54.15 0.56 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -66.47 -46.95 74.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -47.83 -46.94 31.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.442 ' O ' ' N ' ' A' ' 102' ' ' GLN . 77.9 m95 -65.65 -61.38 2.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.924 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.413 ' C ' ' O ' ' A' ' 100' ' ' TRP . 96.6 mt -36.29 -32.89 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 100' ' ' TRP . 22.3 mt-30 -91.6 -47.28 7.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.94 -53.79 52.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 6.9 ptm -81.31 -31.94 33.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.849 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -64.57 -39.24 96.64 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.478 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.455 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 6.3 pt-20 -63.43 -45.05 92.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.842 0.353 . . . . 0.0 110.85 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.455 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -56.23 -32.17 64.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.066 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.781 ' HB1' ' H ' ' A' ' 60' ' ' PHE . . . -63.84 -46.03 86.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.073 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 -42.76 162.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 94.9 t -128.46 124.17 61.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -143.56 135.04 26.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 19.4 m -137.39 156.76 47.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -44.14 147.32 1.29 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.477 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 175.7 7.78 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.705 2.27 . . . . 0.0 112.274 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.2 t -160.48 125.06 3.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 74.9 p -134.79 112.21 10.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.493 -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.9 p -83.51 44.4 0.96 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 0.0 110.833 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.1 m -141.83 135.87 30.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.41 -115.43 4.31 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.471 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 t -46.33 149.82 0.7 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.845 0.355 . . . . 0.0 110.889 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.5 m -122.48 149.13 44.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.851 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.37 127.3 7.22 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -67.94 134.61 51.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.804 0.335 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.516 ' HB3' ' OD1' ' A' ' 37' ' ' ASP . . . -127.7 156.67 75.24 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.568 0.699 . . . . 0.0 111.109 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.461 ' HD2' ' HB1' ' A' ' 9' ' ' ALA . 54.2 Cg_endo -69.74 163.0 39.87 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.68 2.253 . . . . 0.0 112.391 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.3 p -70.55 146.68 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.1 m -96.55 -45.98 6.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.14 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.0 tttp -155.68 150.84 26.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -155.64 134.76 12.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.082 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.516 ' HA2' ' CZ3' ' A' ' 32' ' ' TRP . . . -171.6 161.03 33.2 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.473 ' CE3' ' HE2' ' A' ' 30' ' ' LYS . 90.2 m95 -73.04 106.62 4.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.799 0.333 . . . . 0.0 110.928 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.579 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 18.4 mt -116.97 140.28 49.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.401 ' CE2' ' HB2' ' A' ' 30' ' ' LYS . 4.0 m-85 -87.13 117.79 26.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.1 tttm -97.98 116.98 31.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -60.11 128.17 35.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -46.58 164.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 73.5 m -107.77 -38.94 5.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 27.0 m -61.64 178.79 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.838 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -41.61 -51.74 4.67 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.448 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 23.8 m -42.16 160.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.886 0.374 . . . . 0.0 111.115 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -134.56 41.88 2.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -104.14 154.23 19.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.447 ' CD1' ' NE ' ' A' ' 73' ' ' ARG . 37.9 m95 -94.87 137.76 33.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -122.03 102.41 8.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.473 ' HE2' ' CE3' ' A' ' 16' ' ' TRP . 61.3 tttt -45.0 127.95 6.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.3 tpp180 -145.79 147.95 32.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.516 ' CZ3' ' HA2' ' A' ' 15' ' ' GLY . 60.4 t-105 -78.51 120.54 23.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.579 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 30.0 m-85 -110.33 147.02 34.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 60.5 t -145.42 106.96 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.163 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.704 HD12 ' O ' ' A' ' 39' ' ' CYS . 16.4 tp -66.03 132.93 49.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.741 HG22 ' H ' ' A' ' 37' ' ' ASP . 1.5 p -124.78 -179.96 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.741 ' H ' HG22 ' A' ' 36' ' ' VAL . 0.8 OUTLIER -48.74 112.5 0.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.926 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.564 ' HA ' ' HB1' ' A' ' 107' ' ' ALA . 40.4 mtt85 39.13 41.02 0.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.704 ' O ' HD12 ' A' ' 35' ' ' LEU . 1.8 m -164.8 175.38 9.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 31.0 tp -149.01 128.06 12.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -118.41 162.87 17.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 18.8 p90 -145.33 147.08 31.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.49 ' CD1' ' N ' ' A' ' 43' ' ' TYR . 0.6 OUTLIER -135.13 163.07 30.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.924 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.6 mtmm -57.11 -36.87 71.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.427 ' HA ' ' CH2' ' A' ' 16' ' ' TRP . 20.6 t70 -155.2 170.31 22.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.863 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -47.65 -30.38 3.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.435 ' C ' ' HG2' ' A' ' 48' ' ' GLU . 33.1 mttm -49.97 -33.52 17.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.924 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.435 ' HG2' ' C ' ' A' ' 47' ' ' LYS . 12.1 pt-20 38.78 53.03 1.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -58.97 -56.15 25.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 30.0 t -144.68 120.15 10.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.854 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.4 HG12 ' CE2' ' A' ' 43' ' ' TYR . 69.2 mt -45.05 143.23 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.134 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.9 mt -110.71 -41.86 4.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -145.15 145.64 15.13 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.5 p -113.42 131.65 55.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.902 0.382 . . . . 0.0 110.863 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 69.4 mt -113.25 104.98 55.68 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.646 0.736 . . . . 0.0 111.164 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.402 ' O ' ' CZ ' ' A' ' 60' ' ' PHE . 53.8 Cg_endo -69.8 136.38 32.73 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.683 2.255 . . . . 0.0 112.344 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 26.4 mt -116.47 -16.32 10.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.716 HD11 ' OE1' ' A' ' 111' ' ' GLN . 11.0 tp -48.44 105.76 0.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.458 ' N ' ' HG3' ' A' ' 111' ' ' GLN . 5.6 t 74.38 51.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.831 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.582 ' CE2' ' HB2' ' A' ' 81' ' ' HIS . 5.8 m-85 -118.35 -179.54 3.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -134.46 96.73 3.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 47.0 t -97.67 127.95 49.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 64' ' ' ALA . . . -173.18 149.47 1.81 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 63' ' ' ALA . . . -34.69 147.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.078 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.754 HG11 HG13 ' A' ' 71' ' ' ILE . 11.2 m -54.42 173.73 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.096 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -102.13 161.55 23.04 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.579 0.704 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -21.09 34.04 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.718 2.279 . . . . 0.0 112.312 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.1 t -74.78 -35.82 62.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -67.26 -38.05 84.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 58.8 44.01 17.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.754 HG13 HG11 ' A' ' 65' ' ' VAL . 48.8 mm -58.65 90.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.135 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 71' ' ' ILE . 39.7 t -34.39 -46.88 0.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.447 ' NE ' ' CD1' ' A' ' 28' ' ' TRP . 4.9 mtm-85 -60.02 130.17 45.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.4 mtmm -83.14 151.86 25.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.931 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.436 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 4.1 m-70 68.24 41.5 1.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.879 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.728 HG21 HG21 ' A' ' 71' ' ' ILE . 64.8 m -108.85 142.54 39.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.552 ' CZ ' ' HB2' ' A' ' 89' ' ' PHE . 1.9 p90 -130.34 156.9 43.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.842 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.6 pttt -122.31 153.46 38.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -132.87 120.48 21.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.072 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.418 ' HG2' ' N ' ' A' ' 81' ' ' HIS . 42.7 tt0 -116.69 159.09 22.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.582 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . 13.6 t-160 -133.87 57.67 1.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.839 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 81' ' ' HIS . . . 72.89 25.09 2.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.074 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.46 ' O ' ' C ' ' A' ' 84' ' ' VAL . . . 103.72 -30.88 9.41 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.457 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 81' ' ' HIS . 96.2 t -32.08 -62.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.804 0.335 . . . . 0.0 111.148 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -162.2 136.46 6.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.9 m -105.48 100.4 9.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.144 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -81.95 150.0 27.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -128.72 123.45 33.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.552 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . 43.1 m-85 -122.46 129.21 51.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 13.2 t -107.08 126.51 52.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -102.33 130.54 49.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.128 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -53.4 -44.52 68.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.0 m -112.22 156.92 41.29 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.65 0.738 . . . . 0.0 110.862 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.436 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 54.7 Cg_endo -69.72 -33.66 16.31 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.671 2.247 . . . . 0.0 112.374 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -59.64 -38.66 81.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 97' ' ' GLN . 5.7 mt-10 -69.36 -57.41 5.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 96' ' ' GLU . 11.8 tt0 -35.88 -64.35 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -53.87 -60.23 3.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -39.31 -53.89 1.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.079 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.453 ' O ' ' N ' ' A' ' 102' ' ' GLN . 61.4 m95 -57.1 -59.87 4.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.422 ' C ' ' O ' ' A' ' 100' ' ' TRP . 96.6 mt -36.06 -32.53 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.08 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 100' ' ' TRP . 6.5 mm100 -91.01 -61.31 1.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 102' ' ' GLN . . . -37.36 -53.3 1.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.097 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.465 ' HG3' ' N ' ' A' ' 105' ' ' GLY . 18.1 ptp -85.03 -37.22 20.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.465 ' N ' ' HG3' ' A' ' 104' ' ' MET . . . -51.4 -55.87 17.67 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.484 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.452 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 5.3 pt-20 -45.52 -46.01 13.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.86 0.362 . . . . 0.0 110.918 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.564 ' HB1' ' HA ' ' A' ' 38' ' ' ARG . . . -53.25 -31.18 42.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.119 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.549 ' HB1' ' H ' ' A' ' 60' ' ' PHE . . . -91.85 -34.33 14.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.468 ' O ' ' C ' ' A' ' 110' ' ' VAL . 1.2 mpt_? -55.1 142.16 31.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.793 HG12 ' O ' ' A' ' 110' ' ' VAL . 72.3 t 32.32 55.06 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.096 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLN . . . . . 0.716 ' OE1' HD11 ' A' ' 58' ' ' LEU . 0.5 OUTLIER -47.1 148.01 1.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 24.0 p 43.44 52.27 5.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -159.2 -164.2 14.22 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.462 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 90.77 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.674 2.249 . . . . 0.0 112.325 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 70.9 p -88.21 82.38 7.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 5.0 t 64.65 41.12 5.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.481 -179.968 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.2 t -70.81 104.54 2.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.904 0.383 . . . . 0.0 110.864 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.9 t -156.07 111.44 2.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.862 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.74 115.44 4.44 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.2 t -158.74 150.53 21.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.892 0.377 . . . . 0.0 110.897 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.7 p -114.39 44.49 1.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.807 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.58 64.25 4.38 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.61 158.02 23.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.864 0.364 . . . . 0.0 110.875 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -161.42 143.71 9.03 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.563 0.697 . . . . 0.0 111.085 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 155.13 66.68 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.69 2.26 . . . . 0.0 112.343 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.496 HG23 ' CG1' ' A' ' 34' ' ' VAL . 9.9 p -91.66 136.19 25.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.092 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.5 m -99.57 -45.74 5.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.158 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.521 ' HE2' ' CE2' ' A' ' 100' ' ' TRP . 44.8 tttt -155.02 143.12 20.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.434 ' HB1' ' CZ2' ' A' ' 32' ' ' TRP . . . -145.26 137.54 25.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.141 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -175.07 163.35 33.46 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.469 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.407 ' CH2' ' HA ' ' A' ' 45' ' ' ASP . 92.2 m95 -81.72 116.99 21.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.813 0.339 . . . . 0.0 110.919 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.543 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 29.4 mt -124.63 172.87 8.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.573 ' CZ ' ' HD3' ' A' ' 30' ' ' LYS . 9.7 m-85 -115.71 117.49 30.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.8 tttm -97.21 127.04 42.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -62.81 145.82 54.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.43 111.41 22.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.084 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 23' ' ' SER . 48.3 p -88.01 -33.94 18.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.852 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 22' ' ' SER . 43.5 m -36.75 -69.49 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.843 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -157.51 -89.33 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.496 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.8 m -37.19 135.32 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.892 0.377 . . . . 0.0 111.126 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 47.0 mmtt -85.26 83.53 7.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -137.28 179.78 6.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 70.4 m95 -129.83 120.21 24.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -103.1 118.93 37.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.867 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.573 ' HD3' ' CZ ' ' A' ' 18' ' ' PHE . 5.7 ttpm? -79.42 126.77 31.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.487 ' NE ' ' HA ' ' A' ' 44' ' ' LYS . 20.0 mmt-85 -138.03 164.84 28.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.434 ' CZ2' ' HB1' ' A' ' 14' ' ' ALA . 67.1 t-105 -82.45 112.62 19.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.543 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 46.5 m-85 -99.95 138.39 37.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.496 ' CG1' HG23 ' A' ' 11' ' ' VAL . 44.8 t -134.87 96.2 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.552 HD12 ' O ' ' A' ' 39' ' ' CYS . 11.9 tp -64.81 112.92 3.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.684 HG22 ' H ' ' A' ' 37' ' ' ASP . 0.9 OUTLIER -101.13 -178.48 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 179.832 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.684 ' H ' HG22 ' A' ' 36' ' ' VAL . 18.3 m-20 -50.51 111.25 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.432 ' HA ' ' HB1' ' A' ' 107' ' ' ALA . 24.8 mtt85 43.59 40.08 2.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.866 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.552 ' O ' HD12 ' A' ' 35' ' ' LEU . 1.6 m -166.05 167.13 16.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 41.2 tp -142.9 129.01 19.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.484 ' CE1' ' HB2' ' A' ' 54' ' ' SER . 96.8 m-85 -127.01 147.98 50.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.576 ' CE2' ' HB2' ' A' ' 52' ' ' LEU . 22.0 p90 -121.8 166.53 14.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.56 ' CE2' HG12 ' A' ' 51' ' ' ILE . 0.5 OUTLIER -149.94 162.42 40.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.91 -179.905 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.487 ' HA ' ' NE ' ' A' ' 31' ' ' ARG . 63.1 mttt -51.53 -31.77 25.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.893 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.407 ' HA ' ' CH2' ' A' ' 16' ' ' TRP . 0.6 OUTLIER -171.58 169.53 6.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.931 179.859 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.419 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 2.0 pp20? -41.58 -28.51 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.875 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -42.04 -41.72 2.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.551 ' HG2' ' CE2' ' A' ' 43' ' ' TYR . 3.9 tt0 52.56 53.32 12.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -87.78 -27.56 22.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 47.5 t -162.86 144.59 10.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.56 HG12 ' CE2' ' A' ' 43' ' ' TYR . 41.7 mt -90.64 130.57 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.112 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.701 HD22 ' N ' ' A' ' 52' ' ' LEU . 1.1 mm? -86.13 -39.36 16.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.936 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -151.8 162.69 29.79 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.475 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.484 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 30.8 p -116.59 142.27 47.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.813 0.339 . . . . 0.0 110.829 -179.687 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.407 ' HA ' ' HD2' ' A' ' 56' ' ' PRO . 47.4 mt -123.37 104.99 34.04 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.646 0.736 . . . . 0.0 111.117 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 55' ' ' ILE . 53.6 Cg_endo -69.76 135.26 30.01 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.689 2.259 . . . . 0.0 112.35 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 41.7 mt -129.55 55.6 1.76 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.6 tp -77.75 -68.99 0.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 95.1 p -126.01 26.26 6.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.573 ' CZ ' ' HB2' ' A' ' 81' ' ' HIS . 6.7 m-85 -60.7 175.89 0.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.916 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 34.7 ttt180 -127.84 95.77 4.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.724 HG11 ' SD ' ' A' ' 104' ' ' MET . 3.8 t -96.92 128.36 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.085 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -168.66 179.79 4.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.149 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.14 144.61 54.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.594 HG11 HG13 ' A' ' 71' ' ' ILE . 12.1 m -70.33 -177.2 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.118 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.496 ' HA ' ' NE2' ' A' ' 66' ' ' GLN . 2.4 mm-40 -129.91 164.98 36.72 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.532 0.682 . . . . 0.0 110.952 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.431 ' HD2' ' OE1' ' A' ' 66' ' ' GLN . 54.1 Cg_endo -69.73 -13.1 34.27 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.72 2.28 . . . . 0.0 112.39 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.5 t -102.79 15.8 28.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.75 -17.3 17.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.1 t30 72.15 41.35 0.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.594 HG13 HG11 ' A' ' 65' ' ' VAL . 17.0 mm -91.15 -50.81 12.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.4 t 56.31 44.9 23.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 35.7 mtp180 -152.52 121.3 6.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -70.85 158.84 35.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.943 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.508 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 0.9 OUTLIER 59.65 36.46 22.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.819 179.893 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.679 HG23 ' O ' ' A' ' 89' ' ' PHE . 25.4 m -116.63 140.57 49.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.129 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.476 ' CE2' ' HB2' ' A' ' 89' ' ' PHE . 6.5 p90 -130.75 158.15 40.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.575 ' HB3' ' CE1' ' A' ' 88' ' ' PHE . 30.3 pttt -121.34 155.93 33.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -129.08 118.11 21.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.401 ' HB2' HG23 ' A' ' 86' ' ' THR . 7.6 tt0 -119.8 144.08 47.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.573 ' HB2' ' CZ ' ' A' ' 60' ' ' PHE . 9.5 t-80 -123.75 171.14 9.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.796 ' O ' HG23 ' A' ' 84' ' ' VAL . . . -46.62 89.9 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.101 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 81' ' ' HIS . . . 34.62 56.62 0.77 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.497 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 82' ' ' ALA . 89.2 t -122.3 -64.37 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.813 0.34 . . . . 0.0 111.144 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -162.98 151.9 14.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.401 HG23 ' HB2' ' A' ' 80' ' ' GLU . 1.9 m -116.55 101.06 8.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.173 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -84.34 166.54 17.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.575 ' CE1' ' HB3' ' A' ' 78' ' ' LYS . 60.9 m-85 -145.07 141.68 29.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.859 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.679 ' O ' HG23 ' A' ' 76' ' ' THR . 49.2 m-85 -140.1 137.81 34.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.7 t -120.3 130.16 54.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.843 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -101.63 143.16 31.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.086 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -71.96 -18.54 61.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 45.1 m -131.35 150.81 77.49 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.67 0.748 . . . . 0.0 110.842 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.508 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 53.3 Cg_endo -69.85 -30.19 22.27 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.7 2.266 . . . . 0.0 112.306 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -70.99 -26.97 63.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -78.35 -46.79 19.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.43 ' CD ' ' HA ' ' A' ' 75' ' ' HIS . 11.2 tt0 -45.37 -66.75 0.36 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 99' ' ' ALA . 22.9 mm-40 -50.94 -60.94 2.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.429 ' HB1' ' NZ ' ' A' ' 13' ' ' LYS . . . -38.07 -42.98 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.521 ' CE2' ' HE2' ' A' ' 13' ' ' LYS . 42.2 m95 -70.61 -55.56 8.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.424 HD11 ' HB3' ' A' ' 77' ' ' PHE . 72.1 mt -43.77 -29.13 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.125 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -90.63 -55.12 3.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -49.48 -53.12 24.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.098 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.724 ' SD ' HG11 ' A' ' 62' ' ' VAL . 3.9 ptm -80.75 -35.55 33.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.428 ' N ' ' HG2' ' A' ' 104' ' ' MET . . . -52.31 -53.03 33.39 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.46 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.488 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 8.8 pt-20 -50.96 -49.49 59.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.909 0.385 . . . . 0.0 110.9 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.488 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -47.25 -25.98 1.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.098 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -86.99 -35.07 19.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.082 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -85.73 157.61 20.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.886 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 78.3 t -130.08 124.51 58.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -45.26 169.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.4 m -116.31 -58.52 2.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -38.86 -88.9 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.429 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 131.36 21.03 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.629 2.219 . . . . 0.0 112.358 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.2 m -87.05 141.37 28.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.883 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 13.1 t -172.49 135.42 0.71 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.533 -179.935 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.6 p -143.62 150.73 39.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.945 0.402 . . . . 0.0 110.873 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 t -124.81 42.22 3.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.808 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.14 83.04 0.31 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.506 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.7 m -95.23 83.33 3.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.91 0.386 . . . . 0.0 110.83 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.2 p -151.94 157.82 42.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.2 -155.63 16.02 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.511 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -124.66 117.03 23.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.793 0.33 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.585 ' HB1' ' HD2' ' A' ' 10' ' ' PRO . . . -116.03 160.77 34.16 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.579 0.704 . . . . 0.0 111.074 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.585 ' HD2' ' HB1' ' A' ' 9' ' ' ALA . 53.2 Cg_endo -69.77 167.59 24.01 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.7 2.267 . . . . 0.0 112.307 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 97.1 t -95.28 138.7 20.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 71.8 m -91.18 -44.03 9.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.527 ' HE2' ' CE2' ' A' ' 100' ' ' TRP . 31.5 tttt -157.88 154.26 27.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -160.2 135.24 7.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.112 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.436 ' HA2' ' CZ3' ' A' ' 32' ' ' TRP . . . -176.16 166.26 37.26 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.463 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.58 ' CE3' ' HE2' ' A' ' 30' ' ' LYS . 93.1 m95 -78.65 118.38 20.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.791 0.329 . . . . 0.0 110.923 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.2 mt -127.29 161.77 27.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -104.69 119.93 40.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.4 tttt -103.02 128.46 49.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -57.37 144.83 34.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.87 127.91 35.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.112 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.4 p -103.69 42.46 1.17 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.4 p -151.72 133.66 15.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 39.25 -126.25 2.06 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.467 ' O ' HG23 ' A' ' 25' ' ' VAL . 33.1 m -50.19 123.52 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.867 0.365 . . . . 0.0 111.104 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm -81.29 85.67 6.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -124.39 154.52 40.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 40.7 m95 -87.44 134.07 33.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -117.16 147.13 42.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.926 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.58 ' HE2' ' CE3' ' A' ' 16' ' ' TRP . 25.3 tttt -89.89 133.66 34.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.4 ' NE ' ' HA ' ' A' ' 44' ' ' LYS . 1.6 tpm_? -150.74 154.09 36.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.436 ' CZ3' ' HA2' ' A' ' 15' ' ' GLY . 52.7 t-105 -79.31 115.47 18.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.951 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -107.98 132.37 53.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.841 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 62.4 t -130.94 111.71 20.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.109 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.515 HD12 ' O ' ' A' ' 39' ' ' CYS . 22.2 tp -76.85 143.63 39.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.878 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.72 HG22 ' H ' ' A' ' 37' ' ' ASP . 5.4 p -126.88 174.85 9.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.121 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.72 ' H ' HG22 ' A' ' 36' ' ' VAL . 1.0 OUTLIER -29.25 -75.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.919 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.405 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 6.3 mtm180 -128.18 50.77 2.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.619 ' C ' HG12 ' A' ' 36' ' ' VAL . 1.5 m -170.78 178.78 3.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 50.1 tp -147.42 112.54 5.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.598 ' HE1' HG11 ' A' ' 36' ' ' VAL . 51.6 m-85 -107.49 145.69 32.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.437 ' CE1' ' HB2' ' A' ' 52' ' ' LEU . 53.1 p90 -129.59 155.15 46.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.529 ' CD1' ' N ' ' A' ' 43' ' ' TYR . 0.3 OUTLIER -139.79 156.46 46.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.891 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.4 ' HA ' ' NE ' ' A' ' 31' ' ' ARG . 4.5 mtpm? -47.31 -45.91 24.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -145.15 178.06 8.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -48.79 -37.89 20.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.854 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -39.01 -36.42 0.28 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.471 ' HA ' ' CG ' ' A' ' 43' ' ' TYR . 10.6 pt-20 34.41 46.73 0.18 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -75.83 -41.49 52.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.5 p -128.92 122.45 30.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.469 HG12 ' CE2' ' A' ' 43' ' ' TYR . 72.3 mt -67.09 131.51 32.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.181 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.437 ' HB2' ' CE1' ' A' ' 42' ' ' TYR . 70.2 mt -88.97 -44.15 10.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -160.22 151.62 22.26 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.511 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 59.4 p -116.51 137.21 52.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.864 0.364 . . . . 0.0 110.849 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.414 ' HA ' ' HD2' ' A' ' 56' ' ' PRO . 19.0 mt -114.29 108.53 50.02 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.605 0.717 . . . . 0.0 111.129 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.509 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 53.7 Cg_endo -69.74 96.79 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.715 2.277 . . . . 0.0 112.321 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.629 HD23 ' CG ' ' A' ' 60' ' ' PHE . 58.5 mt -84.76 50.72 1.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.2 tp -68.3 -60.69 2.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 73.3 m -132.32 42.78 3.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.812 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.668 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 3.5 m-85 -68.4 144.0 54.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.477 ' O ' ' C ' ' A' ' 62' ' ' VAL . 3.4 ptm85 -84.31 25.04 0.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.87 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.477 ' C ' ' O ' ' A' ' 61' ' ' ARG . 24.0 t -31.46 113.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.178 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -176.24 153.15 1.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -39.79 137.48 0.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.124 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 25.9 m -55.43 152.41 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -80.23 161.4 65.35 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.608 0.718 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 -6.58 18.94 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.702 2.268 . . . . 0.0 112.352 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 57.6 m -129.69 41.22 3.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -107.52 14.89 25.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 58.79 34.13 23.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 35.0 mm -97.09 139.98 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.6 m -115.71 -34.0 4.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 47.5 mtt85 -73.08 148.58 43.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 75' ' ' HIS . 23.5 mtpp -87.05 -179.65 6.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.907 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.563 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 2.2 m-70 38.1 42.87 0.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.847 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 89' ' ' PHE . 57.0 m -109.19 139.49 44.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.508 ' CD1' ' N ' ' A' ' 77' ' ' PHE . 1.0 OUTLIER -126.97 159.59 33.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 29.4 pttt -122.46 142.77 50.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.944 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.668 ' HB1' ' HD2' ' A' ' 60' ' ' PHE . . . -131.87 110.68 10.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.115 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.459 ' CB ' ' HA ' ' A' ' 86' ' ' THR . 2.2 pt-20 -137.02 141.04 42.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.476 ' HB2' ' CE1' ' A' ' 60' ' ' PHE . 25.1 t-80 -74.03 178.31 5.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.43 ' H ' ' CG ' ' A' ' 81' ' ' HIS . . . -82.07 33.08 0.38 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.105 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 140.61 48.19 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.49 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.455 ' CG2' ' HB3' ' A' ' 81' ' ' HIS . 58.9 t -133.16 -73.11 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.808 0.337 . . . . 0.0 111.125 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.482 ' HG2' ' N ' ' A' ' 86' ' ' THR . 39.6 ttt180 -167.64 159.27 11.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.482 ' N ' ' HG2' ' A' ' 85' ' ' ARG . 4.4 m -104.54 139.29 39.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -127.44 145.36 50.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -122.73 121.38 36.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.846 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.515 ' O ' HG23 ' A' ' 76' ' ' THR . 64.4 m-85 -120.42 135.01 55.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.1 t -111.99 141.53 45.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.817 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -118.06 124.66 48.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.151 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -49.32 -41.11 37.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 65.3 m -114.74 153.6 46.86 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.705 0.764 . . . . 0.0 110.828 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.563 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 54.2 Cg_endo -69.72 -18.6 37.09 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.662 2.242 . . . . 0.0 112.362 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -74.37 -41.56 60.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -66.93 -41.72 86.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.434 ' CD ' ' HA ' ' A' ' 75' ' ' HIS . 14.2 tt0 -51.31 -58.68 5.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.43 ' HA ' HD12 ' A' ' 101' ' ' ILE . 31.4 mm-40 -61.08 -51.54 68.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -46.57 -49.76 18.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.05 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.527 ' CE2' ' HE2' ' A' ' 13' ' ' LYS . 47.2 m95 -62.66 -56.85 13.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ILE . . . . . 0.43 HD12 ' HA ' ' A' ' 98' ' ' GLU . 61.2 mt -42.19 -32.46 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.133 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -90.01 -42.14 11.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.939 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.401 ' CB ' ' HD3' ' A' ' 13' ' ' LYS . . . -55.98 -64.55 0.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.535 ' HB2' HD13 ' A' ' 57' ' ' LEU . 11.4 ptp -75.32 -30.25 60.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -54.55 -53.35 39.24 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.433 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 4.2 pt-20 -49.02 -44.68 41.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.843 0.354 . . . . 0.0 110.886 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.433 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -54.38 -27.62 37.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.123 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -81.28 -40.54 23.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.074 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 13.1 mtp180 -55.64 159.52 2.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 84.1 t -138.2 112.38 8.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.074 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 4.3 pm0 -47.35 151.03 0.8 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 49.3 m 62.02 42.75 9.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -103.87 -75.21 1.04 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.548 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -2.51 10.3 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.718 2.279 . . . . 0.0 112.322 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.6 t -162.37 159.86 25.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 7.7 t -74.93 152.25 38.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.518 -179.981 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.6 m -93.32 -55.12 3.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.938 0.399 . . . . 0.0 110.879 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.3 p -99.07 -48.42 4.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.83 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.74 164.29 26.23 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.504 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.8 p -104.89 -44.66 4.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.875 0.369 . . . . 0.0 110.877 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.1 p -67.93 103.94 1.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.843 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.66 -101.98 1.9 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.468 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -110.17 153.62 24.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 0.0 110.836 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.435 ' HB1' ' HD2' ' A' ' 10' ' ' PRO . . . -119.42 155.78 53.73 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.574 0.702 . . . . 0.0 111.098 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.435 ' HD2' ' HB1' ' A' ' 9' ' ' ALA . 53.5 Cg_endo -69.76 153.82 68.47 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.664 2.242 . . . . 0.0 112.358 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.7 p -70.62 145.56 12.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.145 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.8 m -96.09 -50.62 4.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 43.4 tttp -151.95 144.2 23.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.563 ' HB2' HG13 ' A' ' 34' ' ' VAL . . . -149.83 127.91 11.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.125 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.434 ' HA2' ' CZ3' ' A' ' 32' ' ' TRP . . . -167.52 162.51 36.3 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.453 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -73.64 110.63 8.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.839 0.352 . . . . 0.0 110.95 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.417 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 12.6 mt -117.78 160.74 20.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.509 ' CZ ' ' HD2' ' A' ' 30' ' ' LYS . 17.6 m-85 -105.81 114.36 28.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.1 tttm -91.63 115.45 28.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -48.15 154.12 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.29 156.08 18.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.056 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.4 m -114.19 -52.5 2.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.813 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.8 t -92.85 98.16 11.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 125.79 -161.19 20.26 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.513 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.472 HG13 ' N ' ' A' ' 27' ' ' GLN . 1.4 p -56.42 167.99 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.896 0.379 . . . . 0.0 111.092 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.458 ' H ' HG22 ' A' ' 25' ' ' VAL . 39.3 mtmt -80.27 42.98 0.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.472 ' N ' HG13 ' A' ' 25' ' ' VAL . 28.8 pt20 -86.97 154.79 20.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 36.7 m95 -104.83 144.73 31.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -116.0 118.51 33.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.509 ' HD2' ' CZ ' ' A' ' 18' ' ' PHE . 63.8 tttt -65.19 142.09 58.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -164.78 145.37 7.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.434 ' CZ3' ' HA2' ' A' ' 15' ' ' GLY . 64.6 t-105 -71.09 117.96 13.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.417 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 28.5 m-85 -109.42 137.97 46.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.563 HG13 ' HB2' ' A' ' 14' ' ' ALA . 44.4 t -137.46 107.5 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.413 HD12 ' O ' ' A' ' 39' ' ' CYS . 5.7 tp -75.92 137.8 40.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.752 HG22 ' H ' ' A' ' 37' ' ' ASP . 1.1 p -116.39 -175.49 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.153 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.752 ' H ' HG22 ' A' ' 36' ' ' VAL . 4.3 m-20 -35.77 -73.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -129.01 53.63 1.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.413 ' O ' HD12 ' A' ' 35' ' ' LEU . 1.6 t -175.22 177.92 1.8 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 29.2 tp -144.24 122.51 12.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.949 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.41 ' CE1' ' HB3' ' A' ' 54' ' ' SER . 88.3 m-85 -114.3 147.24 39.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 43.2 p90 -129.85 144.41 51.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.516 ' CE2' HG12 ' A' ' 51' ' ' ILE . 1.3 m-85 -131.69 156.71 45.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.658 ' HG3' HD11 ' A' ' 52' ' ' LEU . 34.2 mtpt -50.08 -36.9 31.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.5 ' OD1' ' N ' ' A' ' 45' ' ' ASP . 2.0 p30 -152.41 -176.97 5.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 47' ' ' LYS . 5.4 pt-20 -62.06 -35.2 77.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.4 ' N ' ' HG3' ' A' ' 46' ' ' GLU . 26.5 mtpt -43.58 -39.11 3.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.404 ' HG2' ' CD1' ' A' ' 43' ' ' TYR . 14.2 mt-10 57.75 48.11 14.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -57.19 -51.59 68.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 21.2 t -148.53 145.94 28.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.516 HG12 ' CE2' ' A' ' 43' ' ' TYR . 77.4 mt -77.1 126.4 37.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.123 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.658 HD11 ' HG3' ' A' ' 44' ' ' LYS . 44.2 mt -90.7 -47.82 7.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -150.56 153.15 24.86 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.461 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.41 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 74.1 p -127.53 128.16 45.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.802 0.334 . . . . 0.0 110.876 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 22.4 mt -98.07 117.81 64.51 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.593 0.711 . . . . 0.0 111.166 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 119.73 6.63 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.692 2.261 . . . . 0.0 112.308 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 83.3 mt -116.88 57.28 0.79 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.4 tp -77.46 -69.63 0.52 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 t -126.42 31.32 5.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.648 ' CE1' ' ND1' ' A' ' 81' ' ' HIS . 6.3 m-85 -66.14 177.18 1.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.929 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 80' ' ' GLU . 65.8 ttt180 -127.55 103.75 7.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 25.5 t -100.43 129.86 50.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -173.58 163.16 4.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.099 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -53.27 125.8 18.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.109 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.42 HG21 HG21 ' A' ' 71' ' ' ILE . 20.3 m -46.54 156.7 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.142 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.459 ' CD ' ' HD2' ' A' ' 67' ' ' PRO . 2.3 mm100 -83.29 161.67 56.43 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.626 0.727 . . . . 0.0 110.883 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.459 ' HD2' ' CD ' ' A' ' 66' ' ' GLN . 54.2 Cg_endo -69.72 -7.7 21.71 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.667 2.245 . . . . 0.0 112.386 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 74.2 m -130.86 50.82 2.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -121.5 21.47 10.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.845 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 57.6 m-20 54.81 35.83 25.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.42 HG21 HG21 ' A' ' 65' ' ' VAL . 50.7 mm -109.73 100.23 10.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.123 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 66.5 m -92.28 47.61 1.34 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.83 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 26.6 mtp180 -148.57 124.2 10.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.0 mttm -70.07 176.9 3.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.929 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.55 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 2.0 m-70 41.75 47.7 3.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.846 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.522 HG23 ' O ' ' A' ' 89' ' ' PHE . 21.0 m -124.28 142.35 51.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.169 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.512 ' CD1' ' N ' ' A' ' 77' ' ' PHE . 0.7 OUTLIER -130.31 159.14 37.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 36.9 pttt -126.07 150.09 48.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -115.44 103.3 10.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.491 ' OE1' ' N ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -107.93 140.07 41.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.648 ' ND1' ' CE1' ' A' ' 60' ' ' PHE . 9.3 t-160 -111.68 -4.88 14.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.491 ' N ' ' OE1' ' A' ' 80' ' ' GLU . . . 46.07 36.0 2.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.082 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -155.69 -29.37 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.49 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.661 HG13 ' H ' ' A' ' 85' ' ' ARG . 0.2 OUTLIER -126.13 -73.99 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.833 0.349 . . . . 0.0 111.173 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.661 ' H ' HG13 ' A' ' 84' ' ' VAL . 10.3 ptp180 -151.29 -175.93 5.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.467 ' N ' ' HG3' ' A' ' 85' ' ' ARG . 95.5 m -135.75 123.07 21.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.491 ' CZ ' ' HD2' ' A' ' 85' ' ' ARG . 74.0 m-85 -94.43 171.72 8.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.459 ' CD1' ' O ' ' A' ' 87' ' ' TYR . 30.2 m-85 -147.33 136.44 22.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.834 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.522 ' O ' HG23 ' A' ' 76' ' ' THR . 24.5 m-85 -137.81 137.51 38.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.455 ' HA ' HG23 ' A' ' 76' ' ' THR . 12.0 t -111.92 139.58 47.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.83 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -110.57 126.51 54.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.135 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -53.06 -40.41 63.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 69.2 m -117.24 153.6 49.95 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.659 0.742 . . . . 0.0 110.846 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.55 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 54.0 Cg_endo -69.76 -23.83 30.37 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.656 2.237 . . . . 0.0 112.367 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -67.91 -34.93 77.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 97' ' ' GLN . 4.1 mm-40 -77.34 -49.03 15.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 96' ' ' GLU . 13.9 tt0 -36.08 -53.31 0.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -68.78 -46.65 68.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -46.8 -47.17 21.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.103 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 69.2 m95 -68.61 -57.01 6.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 71.5 mt -41.04 -31.03 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.094 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -91.19 -39.28 12.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.87 -62.96 1.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.444 ' HG3' ' N ' ' A' ' 105' ' ' GLY . 6.6 ptp -72.01 -30.02 64.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.444 ' N ' ' HG3' ' A' ' 104' ' ' MET . . . -63.88 -51.41 53.77 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.487 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.416 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 6.0 pt-20 -51.55 -43.53 62.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.855 0.359 . . . . 0.0 110.898 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.416 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -53.81 -32.25 51.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.125 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -82.88 -37.5 24.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.079 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 28.9 mtt85 -52.13 148.39 6.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.456 ' O ' HG13 ' A' ' 110' ' ' VAL . 10.9 p -85.89 124.21 40.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -50.19 95.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.96 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 96.4 p -102.86 79.97 1.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 82.49 86.57 0.76 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.545 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 124.58 11.2 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.665 2.243 . . . . 0.0 112.331 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.4 p -132.33 -47.66 0.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 59.4 p -164.02 110.11 1.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.845 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.468 -179.953 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 m -60.6 124.21 19.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.89 0.376 . . . . 0.0 110.905 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.7 p -139.33 153.76 47.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.83 72.3 0.76 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -149.66 175.77 11.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.903 0.382 . . . . 0.0 110.859 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.7 t -98.6 126.78 44.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.895 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.01 -114.79 3.54 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.502 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -79.96 120.23 23.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.874 0.368 . . . . 0.0 110.903 -179.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.468 ' HB1' ' HD2' ' A' ' 10' ' ' PRO . . . -123.93 157.54 63.08 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.587 0.708 . . . . 0.0 111.106 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PRO . . . . . 0.468 ' HD2' ' HB1' ' A' ' 9' ' ' ALA . 54.0 Cg_endo -69.75 155.68 65.34 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.66 2.24 . . . . 0.0 112.363 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 86.4 t -43.96 139.52 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.115 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 96.7 m -87.66 -54.62 4.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.132 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' ' 35' ' ' LEU . 15.5 tttm -154.7 146.47 23.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -152.24 127.5 9.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.063 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.501 ' HA2' ' CZ3' ' A' ' 32' ' ' TRP . . . -162.42 165.93 36.32 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.446 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.483 ' CD1' ' CZ3' ' A' ' 32' ' ' TRP . 88.7 m95 -78.19 112.03 14.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.776 0.322 . . . . 0.0 110.93 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.42 HD11 ' CE2' ' A' ' 100' ' ' TRP . 31.8 mt -124.94 155.51 39.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.461 ' CE2' ' HB2' ' A' ' 30' ' ' LYS . 4.4 m-85 -101.14 131.54 47.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.3 tttm -107.37 119.72 40.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -60.37 111.82 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -44.94 142.29 1.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.055 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.0 p -92.4 -51.62 5.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.3 m -110.77 150.24 29.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.841 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.9 -159.2 25.46 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.527 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.3 p -58.49 156.26 2.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.893 0.378 . . . . 0.0 111.132 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -86.16 87.86 7.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -134.37 -179.06 5.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 77.9 m95 -121.77 129.92 53.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -105.85 122.75 46.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.487 ' O ' ' NE ' ' A' ' 31' ' ' ARG . 51.4 tttt -81.87 115.0 20.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.937 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.487 ' NE ' ' O ' ' A' ' 30' ' ' LYS . 7.1 mmp_? -128.69 -176.57 3.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.834 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.501 ' CZ3' ' HA2' ' A' ' 15' ' ' GLY . 72.2 t-105 -111.06 113.81 26.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -100.44 138.05 38.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 88.1 t -131.64 96.67 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.106 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.501 HD12 ' O ' ' A' ' 39' ' ' CYS . 21.5 tp -63.92 120.92 12.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.723 HG22 ' H ' ' A' ' 37' ' ' ASP . 0.9 OUTLIER -92.75 -173.51 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.878 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.723 ' H ' HG22 ' A' ' 36' ' ' VAL . 6.7 t70 -30.4 -63.33 0.14 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.6 mtm-85 -131.14 -31.56 1.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.637 ' O ' HG12 ' A' ' 36' ' ' VAL . 61.6 m -85.73 175.51 8.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 39.8 tp -133.44 143.21 48.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -136.26 168.27 19.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.637 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 47.7 p90 -141.48 165.29 27.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.637 ' CD1' ' C ' ' A' ' 42' ' ' TYR . 0.3 OUTLIER -151.24 154.53 36.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.933 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.441 ' O ' ' CG ' ' A' ' 45' ' ' ASP . 4.3 tppt? -48.93 -40.2 29.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.95 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.441 ' CG ' ' O ' ' A' ' 44' ' ' LYS . 1.1 m-20 -163.78 178.22 8.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 47' ' ' LYS . 11.0 mm-40 -44.57 -33.39 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 46' ' ' GLU . 28.5 mtmm -35.38 -43.63 0.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 46.47 30.99 1.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -65.76 -20.43 66.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.5 t -170.17 150.05 3.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.568 HG12 ' CE2' ' A' ' 43' ' ' TYR . 85.4 mt -87.92 121.27 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.165 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.8 mp -77.24 -30.98 54.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.493 ' O ' ' CG2' ' A' ' 51' ' ' ILE . . . -159.05 178.28 35.28 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.6 t -136.49 146.59 46.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.82 0.343 . . . . 0.0 110.82 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.431 ' HA ' ' HD2' ' A' ' 56' ' ' PRO . 19.3 mt -136.48 105.07 9.22 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.634 0.73 . . . . 0.0 111.139 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.596 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 53.6 Cg_endo -69.77 123.77 10.42 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.619 2.212 . . . . 0.0 112.365 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.3 mt -104.08 51.99 0.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 25.8 tp -108.13 109.26 20.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.593 ' O ' ' CD2' ' A' ' 81' ' ' HIS . 3.3 t 73.46 25.0 2.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.836 ' CZ ' HG11 ' A' ' 84' ' ' VAL . 8.3 m-85 -86.38 142.19 28.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -98.43 91.1 5.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.621 HG21 ' HG3' ' A' ' 104' ' ' MET . 13.8 t -94.86 123.76 47.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 64' ' ' ALA . . . -166.01 146.88 6.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 63' ' ' ALA . . . -35.75 131.38 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.115 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.5 m -54.42 162.96 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -101.55 159.75 28.53 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.587 0.708 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -10.38 28.44 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.705 2.27 . . . . 0.0 112.361 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 34.3 t -109.51 22.25 15.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -105.3 9.82 33.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 54.61 37.17 27.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 43.0 mm -99.89 96.79 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.127 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.8 m -81.82 56.5 3.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 19.6 mtp85 -159.4 141.06 13.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -87.62 174.57 8.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.563 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 3.3 m-70 42.13 53.52 4.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.439 HG23 ' O ' ' A' ' 89' ' ' PHE . 43.2 m -124.71 147.06 48.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.574 ' CE2' ' HB2' ' A' ' 89' ' ' PHE . 3.5 p90 -132.31 153.8 50.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.593 ' HB3' ' CD2' ' A' ' 88' ' ' PHE . 32.4 pttt -121.68 142.14 50.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -122.11 103.99 9.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.091 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.716 ' HB2' HG23 ' A' ' 86' ' ' THR . 1.4 tm-20 -127.1 148.8 50.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' HIS . . . . . 0.687 ' HB3' HG12 ' A' ' 84' ' ' VAL . 12.2 t-160 -119.78 153.23 36.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.836 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.57 -5.77 12.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.076 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -138.0 -2.05 2.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.516 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.836 HG11 ' CZ ' ' A' ' 60' ' ' PHE . 0.3 OUTLIER -116.83 -170.55 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.873 0.368 . . . . 0.0 111.104 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.792 ' N ' HG13 ' A' ' 84' ' ' VAL . 0.4 OUTLIER -85.45 170.69 12.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.716 HG23 ' HB2' ' A' ' 80' ' ' GLU . 62.3 m -106.12 104.88 14.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.153 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.492 ' CE1' ' HB3' ' A' ' 85' ' ' ARG . 1.8 m-85 -95.02 163.66 13.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.949 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.593 ' CD2' ' HB3' ' A' ' 78' ' ' LYS . 82.3 m-85 -139.11 154.41 48.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.574 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 55.1 m-85 -153.06 123.88 7.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 11.4 t -103.95 138.23 40.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -108.68 132.48 53.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.104 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -62.7 -33.92 76.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 38.5 m -116.68 148.69 42.49 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.67 0.747 . . . . 0.0 110.887 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' PRO . . . . . 0.563 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 53.7 Cg_endo -69.78 -22.62 31.74 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.711 2.274 . . . . 0.0 112.312 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -73.52 -24.66 60.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -82.71 -50.11 9.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.415 ' CD ' ' HA ' ' A' ' 75' ' ' HIS . 18.8 tt0 -41.65 -63.43 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -55.75 -50.1 71.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -48.15 -42.24 28.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.471 ' O ' ' N ' ' A' ' 102' ' ' GLN . 71.6 m95 -70.07 -61.52 1.75 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 98.5 mt -37.23 -29.57 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.111 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 100' ' ' TRP . 27.8 mt-30 -91.27 -48.71 6.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.69 -61.82 2.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.083 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.621 ' HG3' HG21 ' A' ' 62' ' ' VAL . 5.3 ptm -71.49 -32.18 67.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -61.06 -51.49 58.11 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.536 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.421 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 6.0 pt-20 -55.93 -43.57 77.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.846 0.355 . . . . 0.0 110.855 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.421 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -56.55 -31.72 64.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ALA . . . . . 0.528 ' HB1' ' H ' ' A' ' 60' ' ' PHE . . . -79.63 -39.08 32.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.083 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -78.45 161.36 27.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 98.8 t -123.69 148.85 27.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -118.32 139.08 51.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 19.3 t -129.88 147.58 51.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -152.38 69.51 0.3 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.482 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -6.38 18.47 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.68 2.253 . . . . 0.0 112.313 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 24.2 m -96.35 41.15 1.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 89.8 p -69.63 134.37 48.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.821 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.468 179.986 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 54.6 t . . . . . 0 C--O 1.233 0.196 0 CA-C-O 120.881 0.372 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.0 m -92.9 -51.43 5.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.158 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 35' ' ' LEU . 45.7 tttp -155.0 142.32 19.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -149.15 126.85 11.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -169.18 166.29 39.58 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.52 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.524 ' CE3' ' HD3' ' A' ' 30' ' ' LYS . 98.8 m95 -74.27 124.72 26.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.818 0.342 . . . . 0.0 110.903 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.567 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 28.5 mt -136.87 143.74 43.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.513 ' CZ ' ' HB2' ' A' ' 30' ' ' LYS . 4.7 m-85 -95.25 128.35 42.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.827 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -111.52 118.73 36.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -39.42 145.22 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.871 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.797 0.332 . . . . 0.0 110.937 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 67.0 m95 -127.27 123.16 35.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -113.01 142.23 45.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.524 ' HD3' ' CE3' ' A' ' 16' ' ' TRP . 0.6 OUTLIER -80.03 147.62 31.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.89 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -158.83 146.05 17.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.515 ' CD1' ' HA ' ' A' ' 46' ' ' GLU . 51.4 t-105 -78.83 121.1 24.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.567 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 72.8 m-85 -114.49 138.86 50.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 98.4 t -132.2 94.96 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.096 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 13' ' ' LYS . 33.3 tp -57.97 130.51 46.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.725 HG22 ' H ' ' A' ' 37' ' ' ASP . 0.9 OUTLIER -124.22 -175.07 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.132 179.866 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.725 ' H ' HG22 ' A' ' 36' ' ' VAL . 1.4 m-20 -60.47 116.49 4.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 46.1 mtt85 41.46 39.95 1.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.489 ' HB2' ' CG1' ' A' ' 36' ' ' VAL . 1.7 m -167.98 163.53 13.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.6 tp -140.43 117.41 11.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.949 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -106.39 168.33 9.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.523 ' CE1' ' HB2' ' A' ' 52' ' ' LEU . 13.0 p90 -155.62 149.75 25.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.564 ' CD1' ' N ' ' A' ' 43' ' ' TYR . 0.3 OUTLIER -132.98 166.79 21.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 -179.907 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.647 ' N ' HD11 ' A' ' 52' ' ' LEU . 23.4 tptt -54.48 -39.13 67.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.9 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.469 ' OD1' ' N ' ' A' ' 45' ' ' ASP . 13.9 p-10 -148.76 -179.9 7.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.515 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 2.8 pp20? -68.09 -13.96 62.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -56.11 -26.74 51.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 59.01 44.25 16.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.845 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -64.27 -69.17 0.3 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.0 m -142.42 136.06 29.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.433 HG12 ' CE2' ' A' ' 43' ' ' TYR . 94.1 mt -62.29 121.2 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.165 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.647 HD11 ' N ' ' A' ' 44' ' ' LYS . 6.1 mt -84.44 -51.11 7.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.425 ' CA ' ' CE2' ' A' ' 42' ' ' TYR . . . -147.39 155.19 26.39 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.487 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.9 t -121.25 154.9 35.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.819 0.343 . . . . 0.0 110.921 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 11.8 mt -132.6 117.66 15.42 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.589 0.709 . . . . 0.0 111.141 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 131.9 22.21 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.716 2.278 . . . . 0.0 112.358 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 61.5 mt -117.27 54.01 0.9 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 52.0 tp -109.73 115.8 30.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.0 m 60.93 25.37 15.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -80.0 164.18 23.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 58.7 ttm-85 -117.91 93.3 4.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.543 HG11 ' CG ' ' A' ' 104' ' ' MET . 22.1 t -98.29 127.92 50.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -173.74 164.58 4.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.69 138.08 8.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.097 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.488 HG12 ' HB3' ' A' ' 78' ' ' LYS . 5.3 m -58.38 172.52 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.16 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -115.9 159.09 40.5 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.632 0.73 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -10.81 29.47 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.703 2.269 . . . . 0.0 112.336 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.5 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.837 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.828 0.347 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.558 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 2.3 m-70 61.67 54.38 2.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.822 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.9 m -124.42 147.53 48.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.168 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.5 ' CD1' ' N ' ' A' ' 77' ' ' PHE . 1.1 p90 -137.9 159.27 42.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.532 ' HB3' ' CE1' ' A' ' 88' ' ' PHE . 30.6 pttt -125.56 146.17 49.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -132.0 110.82 11.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -136.66 151.23 49.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 13.9 t-160 . . . . . 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.847 0.356 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 37.0 m -114.77 101.71 9.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -89.05 155.6 19.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.532 ' CE1' ' HB3' ' A' ' 78' ' ' LYS . 57.1 m-85 -137.08 140.51 42.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.911 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.477 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . 31.6 m-85 -141.21 136.15 31.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 30.4 t -117.88 117.59 29.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -85.1 132.33 34.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.101 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -60.1 -26.87 66.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.0 m -126.75 153.24 75.81 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.678 0.752 . . . . 0.0 110.837 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.558 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 53.8 Cg_endo -69.79 -38.23 8.01 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.645 2.23 . . . . 0.0 112.304 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -62.04 -26.52 68.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 97' ' ' GLN . 17.3 mt-10 -79.95 -56.8 4.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 96' ' ' GLU . 13.2 tt0 -35.43 -61.81 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -52.26 -56.77 12.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -43.01 -47.72 5.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.031 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 0.48 ' CE2' HD11 ' A' ' 17' ' ' LEU . 67.0 m95 -63.57 -61.14 2.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.942 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 75.8 mt -38.72 -35.52 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.124 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -86.33 -42.88 13.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.45 -63.76 1.19 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.092 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.543 ' CG ' HG11 ' A' ' 62' ' ' VAL . 13.6 ptp -72.69 -18.6 61.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -75.38 -47.53 12.49 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.471 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.535 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 5.3 pt-20 -56.81 -50.0 73.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.837 0.351 . . . . 0.0 110.86 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.535 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -54.41 -25.52 25.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -88.18 -33.66 18.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.081 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 16.4 ptt85 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 -179.898 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 54.6 t . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.933 0.397 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.3 m -86.81 -53.3 5.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.13 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.407 ' HE3' ' NE1' ' A' ' 100' ' ' TRP . 48.2 tttp -152.6 147.72 26.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -151.07 132.75 14.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.09 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.411 ' HA2' ' CZ3' ' A' ' 32' ' ' TRP . . . -172.15 172.15 44.62 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.511 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -81.37 111.08 17.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.802 0.334 . . . . 0.0 110.915 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.57 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 22.4 mt -121.37 141.62 50.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.508 ' CE2' ' HB2' ' A' ' 30' ' ' LYS . 20.1 m-85 -88.74 116.27 26.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.5 tttm -92.4 123.33 35.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -66.05 141.39 58.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.086 179.894 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.801 0.334 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 27.7 m95 -124.66 142.77 51.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -117.96 104.02 10.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.508 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . 31.4 tttt -62.33 124.55 21.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.473 ' CD ' ' HA ' ' A' ' 44' ' ' LYS . 5.3 mmt85 -142.28 179.15 7.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.411 ' CZ3' ' HA2' ' A' ' 15' ' ' GLY . 74.5 t-105 -99.45 113.9 26.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.57 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 32.2 m-85 -100.44 139.83 35.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 61.6 t -133.2 96.49 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 30.9 tp -59.94 115.77 3.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.716 HG22 ' H ' ' A' ' 37' ' ' ASP . 1.4 p -106.43 -179.65 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.716 ' H ' HG22 ' A' ' 36' ' ' VAL . 2.1 m-20 -57.09 116.96 3.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.3 mtm180 42.43 37.09 0.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.564 ' C ' HG12 ' A' ' 36' ' ' VAL . 1.8 m -168.53 173.59 7.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.4 tp -150.37 130.73 13.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.962 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.45 ' CE1' ' HB2' ' A' ' 54' ' ' SER . 97.8 m-85 -125.49 148.47 48.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.653 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 55.5 p90 -121.48 167.29 13.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.653 ' CD1' ' C ' ' A' ' 42' ' ' TYR . 0.2 OUTLIER -156.18 174.75 14.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.927 -179.912 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.473 ' HA ' ' CD ' ' A' ' 31' ' ' ARG . 45.5 mttt -57.63 -49.0 77.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -150.36 -175.12 4.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 47' ' ' LYS . 7.4 pt-20 -54.19 -44.49 71.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 46' ' ' GLU . 21.6 mmmt -34.62 -38.52 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 59.29 49.55 8.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -53.69 -60.51 3.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.836 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 77.6 p -148.28 149.16 31.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.6 mt -70.01 138.44 22.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.116 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.59 ' HB2' ' CE2' ' A' ' 42' ' ' TYR . 55.1 mt -106.31 -32.5 8.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.513 ' HA3' ' CE1' ' A' ' 42' ' ' TYR . . . -157.76 153.48 24.68 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.491 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.45 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 16.2 p -112.46 135.62 52.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.836 0.35 . . . . 0.0 110.83 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.407 ' HA ' ' HD2' ' A' ' 56' ' ' PRO . 57.2 mt -124.13 105.1 31.8 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.594 0.711 . . . . 0.0 111.133 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 55' ' ' ILE . 53.4 Cg_endo -69.79 139.53 40.35 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.704 2.269 . . . . 0.0 112.338 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 19.8 mt -127.93 45.54 2.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.3 tp -65.81 -63.9 0.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.5 t -129.7 25.92 5.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -66.53 113.9 5.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -71.94 99.55 2.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.57 HG11 ' SD ' ' A' ' 104' ' ' MET . 41.1 t -94.34 127.24 46.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -170.6 156.51 5.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.139 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -42.57 142.64 0.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.099 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 4.5 m -59.1 176.0 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.105 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -107.37 157.0 36.71 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.587 0.708 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -8.18 22.95 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.699 2.266 . . . . 0.0 112.384 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 72.3 m . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.822 -179.806 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.8 0.333 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.521 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 4.2 m-70 46.92 51.16 13.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.839 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 11.3 m -115.01 152.66 32.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.174 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.555 ' CD1' ' N ' ' A' ' 77' ' ' PHE . 0.5 OUTLIER -136.94 159.92 40.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 44.6 pttt -123.97 150.16 45.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -123.36 106.97 11.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -105.61 152.85 22.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.889 0.376 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.2 m -114.04 107.93 16.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.411 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 30.5 m-85 -89.95 171.52 9.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.411 ' CD1' ' O ' ' A' ' 87' ' ' TYR . 40.9 m-85 -148.06 125.89 11.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.87 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.513 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 51.2 m-85 -128.05 123.36 34.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.9 t -107.0 135.26 48.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.818 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -104.37 134.12 48.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.095 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -52.95 -44.51 67.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.3 m -112.81 159.13 35.58 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.662 0.744 . . . . 0.0 110.856 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.521 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 53.9 Cg_endo -69.79 -38.24 8.01 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.665 2.243 . . . . 0.0 112.335 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -59.33 -25.9 64.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -79.54 -55.5 4.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -40.84 -62.74 0.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.952 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -50.79 -56.11 13.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -45.56 -48.83 14.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 0.407 ' NE1' ' HE3' ' A' ' 13' ' ' LYS . 53.0 m95 -61.89 -57.52 11.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 85.2 mt -39.83 -37.25 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -83.27 -61.19 1.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.906 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -42.44 -63.25 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.101 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.57 ' SD ' HG11 ' A' ' 62' ' ' VAL . 2.9 ptp -73.65 -19.09 60.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -66.79 -52.13 35.92 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.469 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.496 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 7.7 pt-20 -55.16 -49.39 71.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.837 0.351 . . . . 0.0 110.876 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.496 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -46.37 -32.15 3.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -80.43 -35.4 35.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.091 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 71.0 mtt180 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.893 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 78.7 t . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.915 0.388 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 44.8 m -75.06 -59.69 2.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.122 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -148.56 156.14 42.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.517 ' HB1' HG22 ' A' ' 34' ' ' VAL . . . -158.37 130.92 7.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.406 ' HA2' ' CH2' ' A' ' 32' ' ' TRP . . . -168.59 163.71 37.41 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.44 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.571 ' CE3' ' HE2' ' A' ' 30' ' ' LYS . 90.4 m95 -74.38 119.65 18.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.807 0.337 . . . . 0.0 110.9 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.481 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 42.9 mt -130.47 160.79 33.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -108.8 114.62 28.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.6 tttm -88.79 125.12 34.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -70.37 120.01 15.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.072 179.906 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.767 0.317 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 58.6 m95 -124.75 130.23 52.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -122.36 142.88 50.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.571 ' HE2' ' CE3' ' A' ' 16' ' ' TRP . 37.8 tttt -84.57 142.72 29.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.3 tpp180 -161.07 152.05 18.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.408 ' CZ3' ' CD1' ' A' ' 16' ' ' TRP . 39.4 t-105 -78.65 122.69 26.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.972 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.481 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 34.5 m-85 -114.25 141.81 47.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.517 HG22 ' HB1' ' A' ' 14' ' ' ALA . 84.0 t -140.0 106.43 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 34.7 tp -67.09 114.92 6.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.691 HG22 ' H ' ' A' ' 37' ' ' ASP . 0.6 OUTLIER -104.84 -174.02 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.845 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.691 ' H ' HG22 ' A' ' 36' ' ' VAL . 4.7 m-20 -53.75 118.18 3.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 37' ' ' ASP . 28.7 mtm-85 34.28 41.32 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.514 ' HB3' HG12 ' A' ' 36' ' ' VAL . 1.6 t -171.77 163.95 6.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 48.1 tp -134.64 139.05 45.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.409 ' CE1' ' HB2' ' A' ' 54' ' ' SER . 67.3 m-85 -128.43 152.46 48.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.889 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.584 ' CE1' ' HB2' ' A' ' 52' ' ' LEU . 46.5 p90 -129.96 144.31 51.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.513 ' CD1' ' N ' ' A' ' 43' ' ' TYR . 0.4 OUTLIER -133.3 155.18 49.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 -179.911 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.848 ' HG2' HD11 ' A' ' 52' ' ' LEU . 22.2 mttp -39.43 -48.77 2.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.414 ' HA ' ' CH2' ' A' ' 16' ' ' TRP . 17.3 p-10 -158.75 -178.92 7.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.857 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 47' ' ' LYS . 20.8 mt-10 -44.32 -45.7 8.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 46' ' ' GLU . 30.3 mtpt -35.56 -36.03 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.406 ' HG2' ' CD2' ' A' ' 43' ' ' TYR . 8.8 tt0 53.8 47.88 22.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -52.66 -59.96 3.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.0 t -151.48 151.44 31.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 95.7 mt -66.9 124.46 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.086 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.848 HD11 ' HG2' ' A' ' 44' ' ' LYS . 76.9 mt -89.33 -35.1 16.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.544 ' HA3' ' CE2' ' A' ' 42' ' ' TYR . . . -158.2 160.09 30.58 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.472 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.409 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 5.7 p -119.3 133.88 55.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.81 0.338 . . . . 0.0 110.839 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 52.3 mt -120.24 105.06 42.58 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.642 0.734 . . . . 0.0 111.114 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.598 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 53.6 Cg_endo -69.79 116.41 4.55 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.679 2.253 . . . . 0.0 112.339 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.417 ' CD1' ' HB2' ' A' ' 104' ' ' MET . 16.1 mt -106.03 40.46 1.58 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 13.4 tp -83.13 105.04 13.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 t 62.66 31.21 16.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.637 ' N ' ' HB1' ' A' ' 108' ' ' ALA . 5.4 m-85 -80.68 138.85 36.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.862 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -86.22 97.39 10.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.599 HG11 ' SD ' ' A' ' 104' ' ' MET . 15.3 t -101.95 131.4 50.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.121 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -171.64 165.49 6.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.075 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.03 130.87 48.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.839 HG22 ' O ' ' A' ' 76' ' ' THR . 11.2 m -53.74 174.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -119.78 160.45 42.44 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.57 0.7 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -16.51 37.79 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.707 2.272 . . . . 0.0 112.334 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.6 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.849 -179.804 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.2 mtpt . . . . . 0 C--O 1.232 0.161 0 CA-C-O 120.796 0.331 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.517 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 2.2 m-70 43.35 51.05 6.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.857 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.89 HG23 ' O ' ' A' ' 89' ' ' PHE . 87.1 m -121.15 137.96 54.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.468 ' CZ ' ' HB2' ' A' ' 89' ' ' PHE . 7.3 p90 -121.74 165.62 15.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.577 ' HB3' ' CD1' ' A' ' 88' ' ' PHE . 5.1 pttm -129.35 152.73 48.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -140.26 106.62 5.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -130.11 147.96 51.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 5.3 t-160 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.816 -179.983 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.847 0.356 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.479 HG22 ' CE2' ' A' ' 88' ' ' PHE . 47.8 m -108.94 125.29 51.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.192 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -106.78 161.11 14.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.577 ' CD1' ' HB3' ' A' ' 78' ' ' LYS . 86.3 m-85 -144.04 133.59 23.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.882 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.89 ' O ' HG23 ' A' ' 76' ' ' THR . 58.8 m-85 -133.37 141.08 47.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 28.1 t -118.54 123.68 45.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -92.71 144.49 25.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.113 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -70.59 -25.63 63.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.1 t -130.05 150.13 75.14 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.609 0.719 . . . . 0.0 110.909 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.517 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 54.3 Cg_endo -69.77 -10.1 27.74 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.638 2.225 . . . . 0.0 112.384 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -85.72 -25.41 26.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -83.23 -46.18 12.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -43.41 -62.72 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -53.26 -56.99 12.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -44.74 -46.96 10.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.098 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 0.433 ' CE2' HD11 ' A' ' 17' ' ' LEU . 61.5 m95 -62.18 -55.52 27.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 94.2 mt -45.44 -34.3 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.084 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -86.71 -39.02 16.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.17 -60.33 3.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.052 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.599 ' SD ' HG11 ' A' ' 62' ' ' VAL . 8.9 ptp -74.26 -28.52 61.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.891 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -59.8 -48.98 83.4 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.525 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.497 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 8.3 pt-20 -59.17 -47.84 83.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.903 0.382 . . . . 0.0 110.915 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.497 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -45.23 -32.85 2.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.063 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.637 ' HB1' ' N ' ' A' ' 60' ' ' PHE . . . -74.7 -43.35 55.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.116 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 15.7 mtp85 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 -179.898 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 94.2 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.964 0.412 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.0 m -87.5 -55.7 3.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.435 ' HE3' ' CE2' ' A' ' 100' ' ' TRP . 61.4 tttp -151.97 150.36 29.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.422 ' HB1' HG22 ' A' ' 34' ' ' VAL . . . -152.55 131.65 12.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.138 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -172.75 164.86 37.11 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.481 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.486 ' CE3' ' HE3' ' A' ' 30' ' ' LYS . 91.6 m95 -72.99 113.25 9.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.802 0.334 . . . . 0.0 110.93 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.842 HD11 ' CE2' ' A' ' 100' ' ' TRP . 28.5 mt -126.63 137.42 53.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -86.09 122.34 29.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.9 tttm -94.92 117.98 31.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -38.57 152.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.538 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.538 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 9.1 pt20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.787 0.327 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.443 ' CZ3' ' HB2' ' A' ' 90' ' ' SER . 31.2 m95 -116.56 134.25 55.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -106.21 140.04 39.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.486 ' HE3' ' CE3' ' A' ' 16' ' ' TRP . 26.2 tttp -83.6 132.14 34.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.951 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.1 tpp85 -150.67 143.29 24.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 49.4 t-105 -69.26 122.75 19.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.484 ' CD2' ' HB2' ' A' ' 17' ' ' LEU . 26.2 m-85 -115.89 141.28 48.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.895 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.422 HG22 ' HB1' ' A' ' 14' ' ' ALA . 98.7 t -140.46 105.79 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.135 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.495 HD12 ' O ' ' A' ' 39' ' ' CYS . 28.9 tp -68.3 126.11 28.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.732 HG22 ' H ' ' A' ' 37' ' ' ASP . 1.4 p -121.5 -178.61 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.732 ' H ' HG22 ' A' ' 36' ' ' VAL . 4.3 m-20 -52.46 115.23 1.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 19.7 mtm180 39.81 38.63 0.47 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.495 ' O ' HD12 ' A' ' 35' ' ' LEU . 1.8 m -165.17 173.83 10.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 29.9 tp -151.73 111.83 4.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.525 ' CE1' ' HB2' ' A' ' 54' ' ' SER . 83.4 m-85 -97.99 154.44 17.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 35.7 p90 -140.86 144.78 35.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.536 ' CE2' HG12 ' A' ' 51' ' ' ILE . 0.6 OUTLIER -130.66 161.06 32.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.913 -179.86 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.2 ttmt -52.82 -40.85 63.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.458 ' OD2' ' CG ' ' A' ' 47' ' ' LYS . 11.7 p-10 -156.05 -177.84 6.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -52.67 -39.55 61.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.46 ' CB ' ' OE2' ' A' ' 49' ' ' GLU . 6.6 mmmm -42.98 -28.11 0.24 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 47' ' ' LYS . 14.4 pt-20 34.89 47.59 0.27 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.46 ' OE2' ' CB ' ' A' ' 47' ' ' LYS . 41.5 mp0 -55.97 -51.65 66.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 53.2 p -148.42 138.06 22.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.536 HG12 ' CE2' ' A' ' 43' ' ' TYR . 80.9 mt -65.95 128.86 29.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.125 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.6 mt -93.23 -41.51 9.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -155.21 155.46 26.26 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.44 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.525 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 11.9 t -123.34 156.4 35.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.809 0.338 . . . . 0.0 110.859 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 25.9 mt -127.74 105.14 20.89 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.662 0.744 . . . . 0.0 111.119 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 107.44 1.85 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.698 2.265 . . . . 0.0 112.349 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 94.7 mt -100.06 57.05 0.96 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.2 tp -62.65 -68.72 0.31 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 56.0 p -131.72 32.11 4.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.836 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.589 ' CE2' ' HB2' ' A' ' 81' ' ' HIS . 8.5 m-85 -65.96 158.52 27.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -111.3 99.25 8.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.57 HG11 ' SD ' ' A' ' 104' ' ' MET . 17.2 t -94.24 127.86 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.15 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -169.2 174.41 6.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.069 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.16 133.93 56.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.557 HG12 ' HB3' ' A' ' 78' ' ' LYS . 17.4 m -61.31 161.87 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -99.96 156.91 34.77 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.639 0.733 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -0.03 6.33 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.671 2.247 . . . . 0.0 112.374 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 65.3 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.834 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 30.1 mttp . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.796 0.332 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.558 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 3.9 m-70 56.5 42.64 27.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.812 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.493 HG23 ' O ' ' A' ' 89' ' ' PHE . 16.7 m -120.36 140.27 51.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.549 ' CE2' ' HB2' ' A' ' 89' ' ' PHE . 1.5 p90 -128.49 158.21 39.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.582 ' HB3' ' CD2' ' A' ' 88' ' ' PHE . 26.6 pttt -130.4 145.61 51.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -113.4 102.69 10.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -101.37 127.35 48.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.901 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.589 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . 50.2 t-80 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 18.8 ttt180 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.886 0.374 . . . . 0.0 110.867 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 95.2 m -134.7 101.62 5.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.136 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -80.92 166.38 20.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.582 ' CD2' ' HB3' ' A' ' 78' ' ' LYS . 53.6 m-85 -138.03 151.71 48.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.549 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 33.7 m-85 -146.55 139.15 25.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.443 ' HB2' ' CZ3' ' A' ' 28' ' ' TRP . 26.8 t -122.54 118.44 28.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -90.09 140.37 29.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.102 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -64.64 -39.43 93.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.3 m -114.76 156.21 45.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.654 0.74 . . . . 0.0 110.911 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.558 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 54.2 Cg_endo -69.75 -30.39 22.39 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.733 2.289 . . . . 0.0 112.34 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -66.47 -35.97 81.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -72.85 -48.35 38.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -41.66 -65.17 0.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -53.26 -51.32 62.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -46.95 -45.73 21.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 0.842 ' CE2' HD11 ' A' ' 17' ' ' LEU . 57.3 m95 -67.16 -55.73 12.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 69.6 mt -41.67 -34.75 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -86.57 -51.68 6.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -48.91 -67.01 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.57 ' SD ' HG11 ' A' ' 62' ' ' VAL . 5.0 ptp -69.3 -25.42 64.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -62.26 -41.09 99.73 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.453 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -65.43 -41.97 92.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 110.853 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -52.85 -25.59 12.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.111 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -82.61 -24.82 33.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.052 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.2 ptt-85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.848 -179.874 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 96.4 t . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.87 0.367 . . . . 0.0 111.109 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.0 m -88.55 -52.14 5.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.18 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.453 ' HD3' ' CB ' ' A' ' 103' ' ' ALA . 27.4 tttp -150.45 156.02 40.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -157.25 138.14 13.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.146 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.537 ' HA2' ' CZ3' ' A' ' 32' ' ' TRP . . . -178.69 161.29 27.67 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.518 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.475 ' CD1' ' CZ3' ' A' ' 32' ' ' TRP . 91.2 m95 -73.01 111.94 8.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.773 0.32 . . . . 0.0 110.913 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.509 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 18.7 mt -119.74 145.72 46.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.888 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -89.22 117.43 28.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -94.63 116.27 28.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.942 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -50.68 149.09 3.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 179.892 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.769 0.318 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 56.0 m95 -128.83 130.02 46.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 54.3 m-80 -109.42 112.57 24.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -55.95 130.52 44.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.475 ' NE ' ' HA ' ' A' ' 44' ' ' LYS . 2.2 tpm_? -147.94 148.22 30.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.845 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.547 ' CE2' ' OE1' ' A' ' 46' ' ' GLU . 68.8 t-105 -79.16 122.22 26.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.509 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 30.8 m-85 -113.0 140.29 47.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 53.8 t -132.82 110.52 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.156 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.409 HD12 ' O ' ' A' ' 39' ' ' CYS . 47.4 tp -72.11 121.77 19.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.737 HG22 ' H ' ' A' ' 37' ' ' ASP . 1.1 p -116.6 -176.42 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.108 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.737 ' H ' HG22 ' A' ' 36' ' ' VAL . 21.0 p-10 -50.73 117.49 2.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.471 ' HA ' ' HB1' ' A' ' 107' ' ' ALA . 76.1 mtt180 34.62 32.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.503 ' HB2' ' CG1' ' A' ' 36' ' ' VAL . 1.7 m -154.54 168.02 28.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.1 tp -144.49 123.53 12.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -110.27 169.95 8.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.555 ' CE1' ' HB2' ' A' ' 52' ' ' LEU . 20.4 p90 -151.34 142.33 23.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.974 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.511 ' CD2' ' HA ' ' A' ' 48' ' ' GLU . 0.8 OUTLIER -133.02 164.23 27.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.927 -179.902 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.747 ' HG2' HD11 ' A' ' 52' ' ' LEU . 34.8 mmtt -58.54 -40.84 84.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.92 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 46' ' ' GLU . 13.9 t70 -155.99 172.39 18.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.547 ' OE1' ' CE2' ' A' ' 32' ' ' TRP . 6.4 mm-40 -36.38 -41.81 0.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 46' ' ' GLU . 65.3 mttt -35.57 -46.44 0.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.511 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 5.5 pt-20 43.07 26.53 0.08 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -49.75 -62.24 1.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 60.4 p -120.44 129.37 53.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.855 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.451 HG12 ' CE2' ' A' ' 43' ' ' TYR . 68.5 mt -66.62 141.43 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.078 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.747 HD11 ' HG2' ' A' ' 44' ' ' LYS . 14.9 mt -99.86 -38.92 8.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.938 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -156.2 156.32 27.0 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.503 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 61.4 p -122.61 129.31 51.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.879 0.371 . . . . 0.0 110.821 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.617 HG23 ' CZ ' ' A' ' 87' ' ' TYR . 30.8 mt -110.38 119.04 47.84 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.641 0.734 . . . . 0.0 111.137 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 136.66 33.6 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.657 2.238 . . . . 0.0 112.386 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 18.7 mt -124.86 40.44 3.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 55.8 tp -90.53 116.64 28.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.957 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 41.6 m 52.45 41.01 30.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.653 ' H ' ' HB1' ' A' ' 108' ' ' ALA . 9.0 m-85 -89.31 158.23 17.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 27.8 ttt180 -109.89 95.22 5.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.863 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 48.2 t -97.08 128.32 48.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -173.02 155.16 2.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.102 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -41.7 133.75 2.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.08 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.426 HG13 ' CA ' ' A' ' 77' ' ' PHE . 19.6 m -52.52 176.34 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.159 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -116.65 159.32 40.86 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.624 0.726 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -0.43 6.93 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.678 2.252 . . . . 0.0 112.326 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 39.3 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 -179.894 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.457 ' HE2' ' CE1' ' A' ' 75' ' ' HIS . 1.3 mmmm . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.783 0.325 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.548 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 2.3 m-70 68.64 45.47 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.427 HG23 ' O ' ' A' ' 89' ' ' PHE . 17.7 m -119.51 147.0 44.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.442 ' CZ ' ' HB2' ' A' ' 89' ' ' PHE . 3.1 p90 -132.3 161.52 33.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 42.6 pttt -122.98 146.56 47.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -124.23 104.82 9.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.076 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -114.48 135.45 54.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.582 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . 7.4 t-160 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.92 0.391 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.6 m -114.36 104.81 12.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.1 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.617 ' CZ ' HG23 ' A' ' 55' ' ' ILE . 86.5 m-85 -94.02 136.4 34.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -112.86 135.15 53.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 87' ' ' TYR . 40.7 m-85 -139.06 123.52 18.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 48.5 t -105.2 122.22 45.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -92.82 133.3 36.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.101 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -54.13 -44.13 71.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 66.1 m -109.38 150.9 41.74 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.691 0.758 . . . . 0.0 110.814 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.548 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 54.2 Cg_endo -69.72 -25.97 28.23 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.642 2.228 . . . . 0.0 112.391 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -69.51 -31.27 69.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -76.35 -48.24 20.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -44.12 -57.7 3.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -58.16 -52.35 65.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -47.43 -49.04 26.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 0.407 ' O ' ' C ' ' A' ' 101' ' ' ILE . 63.1 m95 -58.79 -59.93 4.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 100' ' ' TRP . 96.2 mt -36.95 -35.59 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -86.83 -49.01 7.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.453 ' CB ' ' HD3' ' A' ' 13' ' ' LYS . . . -54.26 -56.5 17.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.089 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 10.0 ptp -78.56 -25.08 45.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -67.96 -42.21 85.95 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.498 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.409 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 6.2 pt-20 -59.37 -43.02 92.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.878 0.37 . . . . 0.0 110.842 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.471 ' HB1' ' HA ' ' A' ' 38' ' ' ARG . . . -60.36 -29.54 68.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.075 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.653 ' HB1' ' H ' ' A' ' 60' ' ' PHE . . . -82.82 -38.37 23.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.075 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 76.0 t . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.91 0.386 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.6 m -82.49 -47.49 12.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.119 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.454 ' HD3' ' CD2' ' A' ' 100' ' ' TRP . 36.3 tttp -156.95 153.45 28.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -156.85 131.3 8.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -175.13 161.53 30.85 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.509 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.489 ' CD2' ' HE2' ' A' ' 30' ' ' LYS . 94.6 m95 -74.71 114.06 12.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.826 0.346 . . . . 0.0 110.913 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.441 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 22.9 mt -122.72 144.03 49.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -92.7 126.34 37.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.2 tttm -105.0 133.3 50.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -64.35 140.74 58.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.948 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.106 179.923 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.785 0.326 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 43.6 m95 -128.4 133.41 48.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -115.21 130.12 56.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.489 ' HE2' ' CD2' ' A' ' 16' ' ' TRP . 43.6 tttt -71.07 139.9 50.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.7 tpp85 -156.97 143.56 18.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 75.3 t-105 -74.81 118.44 17.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.949 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.441 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 38.6 m-85 -112.71 136.79 51.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.425 ' C ' HD12 ' A' ' 40' ' ' LEU . 89.7 t -134.96 100.49 2.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.442 HD12 ' O ' ' A' ' 39' ' ' CYS . 14.6 tp -63.49 125.27 23.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.959 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.69 HG22 ' H ' ' A' ' 37' ' ' ASP . 0.5 OUTLIER -114.31 -173.54 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.101 179.906 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.69 ' H ' HG22 ' A' ' 36' ' ' VAL . 2.2 t70 -56.9 124.45 18.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.465 ' C ' ' O ' ' A' ' 37' ' ' ASP . 18.2 mtt180 32.64 36.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.501 ' HB3' ' CG1' ' A' ' 36' ' ' VAL . 1.6 t -170.49 172.07 6.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.425 HD12 ' C ' ' A' ' 34' ' ' VAL . 7.3 tp -146.38 142.98 28.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -129.63 150.29 51.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.585 ' CE1' ' HB2' ' A' ' 52' ' ' LEU . 46.3 p90 -131.07 145.72 52.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.926 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.52 ' CG ' ' HA ' ' A' ' 48' ' ' GLU . 2.0 m-85 -130.2 157.91 41.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.6 tptm -50.18 -39.98 45.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -154.78 -177.09 6.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.909 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 48' ' ' GLU . 2.8 pp20? -49.13 -41.25 35.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.904 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.486 ' O ' ' C ' ' A' ' 48' ' ' GLU . 45.5 mttp -36.86 -30.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.52 ' HA ' ' CG ' ' A' ' 43' ' ' TYR . 6.6 pt-20 31.05 46.53 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -80.55 -53.88 6.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 89.3 p -117.75 131.77 56.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.485 HG12 ' CE2' ' A' ' 43' ' ' TYR . 55.1 mt -80.26 132.68 31.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.129 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.585 ' HB2' ' CE1' ' A' ' 42' ' ' TYR . 9.7 mt -92.27 -46.86 7.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.926 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.418 ' HA3' ' CE2' ' A' ' 42' ' ' TYR . . . -148.23 154.36 25.83 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.463 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 59.9 p -121.11 134.85 55.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.89 0.376 . . . . 0.0 110.847 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.419 ' HA ' ' HD2' ' A' ' 56' ' ' PRO . 22.2 mt -113.61 104.95 55.26 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.675 0.75 . . . . 0.0 111.152 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.588 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 54.3 Cg_endo -69.69 101.79 0.94 Allowed 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.705 2.27 . . . . 0.0 112.383 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.438 HD13 ' HB2' ' A' ' 104' ' ' MET . 60.1 mt -91.71 46.04 1.26 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.4 tp -69.07 -61.19 1.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 t -130.92 42.69 3.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.588 ' CE1' ' O ' ' A' ' 56' ' ' PRO . 5.8 m-85 -80.34 170.34 16.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 52.8 ttt180 -121.09 96.38 5.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.758 HG21 ' HG3' ' A' ' 104' ' ' MET . 40.1 t -99.96 128.96 51.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 64' ' ' ALA . . . -173.99 142.75 0.88 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 63' ' ' ALA . . . -35.31 132.05 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.09 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 76' ' ' THR . 22.7 m -54.02 -177.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.098 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -130.6 160.58 65.53 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.633 0.73 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -3.59 12.27 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.708 2.272 . . . . 0.0 112.32 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.875 -179.82 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.783 0.325 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.498 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 2.0 m-70 57.21 45.22 20.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.841 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.486 ' O ' HG22 ' A' ' 65' ' ' VAL . 30.9 m -121.46 140.17 52.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.58 ' CE2' ' HB2' ' A' ' 89' ' ' PHE . 3.1 p90 -128.55 160.89 30.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.861 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.9 pttp -119.02 146.51 44.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -134.17 103.73 5.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.083 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.669 ' HB3' HG23 ' A' ' 86' ' ' THR . 16.3 pt-20 -125.47 150.51 47.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.468 ' O ' ' CD2' ' A' ' 81' ' ' HIS . 22.4 t-160 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.871 0.367 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.669 HG23 ' HB3' ' A' ' 80' ' ' GLU . 8.5 m -110.0 108.94 19.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -91.49 169.75 10.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -149.1 119.88 7.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.84 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.58 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 54.8 m-85 -120.97 128.52 52.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 45.5 t -106.75 138.35 43.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.816 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -109.43 135.94 49.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.121 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -59.88 -44.79 94.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.9 p -108.22 151.68 41.53 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.639 0.733 . . . . 0.0 110.86 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.498 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 54.3 Cg_endo -69.76 -21.34 33.64 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.7 2.267 . . . . 0.0 112.363 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -73.61 -35.7 65.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -71.71 -49.23 41.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -40.81 -60.92 1.05 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -57.24 -51.73 68.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -44.51 -51.42 8.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.09 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 0.454 ' CD2' ' HD3' ' A' ' 13' ' ' LYS . 75.1 m95 -61.84 -59.74 4.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 100' ' ' TRP . 96.9 mt -36.73 -38.29 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.13 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -85.45 -47.45 9.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.944 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.4 -60.3 3.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.102 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.758 ' HG3' HG21 ' A' ' 62' ' ' VAL . 6.7 ptm -73.64 -33.73 64.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -60.71 -53.0 48.96 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.472 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.473 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 6.0 pt-20 -48.64 -46.57 40.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.875 0.369 . . . . 0.0 110.909 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.473 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -53.21 -33.52 53.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.147 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.494 ' HB1' ' O ' ' A' ' 60' ' ' PHE . . . -72.57 -37.65 68.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 31.5 mtp180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.887 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 82.2 t . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.895 0.379 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.4 m -89.07 -50.96 5.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.094 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -153.23 149.1 27.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.406 ' HB2' HG13 ' A' ' 34' ' ' VAL . . . -148.28 129.22 14.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.086 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.51 ' HA2' ' CZ3' ' A' ' 32' ' ' TRP . . . -170.42 162.17 35.28 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.471 ' CD1' ' CZ3' ' A' ' 32' ' ' TRP . 91.6 m95 -75.5 117.65 17.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.824 0.345 . . . . 0.0 110.975 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.568 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 16.4 mt -124.28 127.76 48.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.949 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.575 ' CE1' ' HD2' ' A' ' 30' ' ' LYS . 10.7 m-85 -73.36 118.85 16.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 48.0 tttt -93.96 107.37 19.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -39.92 153.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.093 179.908 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.758 0.313 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 55.4 m95 -128.55 126.05 39.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.94 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -109.36 126.51 53.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.575 ' HD2' ' CE1' ' A' ' 18' ' ' PHE . 18.9 tttt -71.63 131.71 43.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.477 ' NE ' ' HA ' ' A' ' 44' ' ' LYS . 1.6 tpm_? -144.61 159.96 41.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.51 ' CZ3' ' HA2' ' A' ' 15' ' ' GLY . 56.4 t-105 -89.17 109.58 20.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.568 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 30.9 m-85 -103.84 128.59 51.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.406 HG13 ' HB2' ' A' ' 14' ' ' ALA . 67.5 t -127.56 103.28 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.155 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.795 HD12 ' O ' ' A' ' 39' ' ' CYS . 15.3 tp -71.65 119.76 16.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.737 HG22 ' H ' ' A' ' 37' ' ' ASP . 0.9 OUTLIER -86.87 -174.17 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.829 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.737 ' H ' HG22 ' A' ' 36' ' ' VAL . 1.8 p30 -30.68 -59.6 0.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.851 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.489 ' N ' ' OD1' ' A' ' 37' ' ' ASP . 3.1 mtt85 -131.21 -32.21 1.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.795 ' O ' HD12 ' A' ' 35' ' ' LEU . 63.0 m -82.47 179.69 7.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 28.5 tp -139.85 112.26 7.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -102.05 171.33 7.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.446 ' CE2' ' HA3' ' A' ' 53' ' ' GLY . 42.5 p90 -154.71 154.04 32.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.928 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.54 ' CD2' ' HA ' ' A' ' 48' ' ' GLU . 0.9 OUTLIER -140.46 148.0 40.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.477 ' HA ' ' NE ' ' A' ' 31' ' ' ARG . 34.4 mmtt -47.3 -35.11 7.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.931 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 45' ' ' ASP . 1.0 OUTLIER -146.4 -176.72 5.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.843 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -76.89 48.03 0.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.408 ' NZ ' ' HB2' ' A' ' 44' ' ' LYS . 8.3 pttm -100.13 -28.67 12.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.54 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 4.8 pt-20 39.72 43.06 1.08 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -102.36 -66.84 0.9 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.4 m -113.47 104.94 12.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.528 HG12 ' CE2' ' A' ' 43' ' ' TYR . 90.3 mt -59.94 134.83 25.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.129 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.467 ' CD1' ' HG2' ' A' ' 44' ' ' LYS . 8.0 mt -94.04 -41.96 9.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.446 ' HA3' ' CE2' ' A' ' 42' ' ' TYR . . . -150.06 144.0 11.41 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.505 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.9 t -110.12 145.79 36.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.873 0.368 . . . . 0.0 110.871 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.423 ' HA ' ' HD2' ' A' ' 56' ' ' PRO . 45.9 mt -126.4 105.08 24.54 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.616 0.722 . . . . 0.0 111.11 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 55' ' ' ILE . 54.0 Cg_endo -69.81 133.32 25.19 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.706 2.27 . . . . 0.0 112.357 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 81.6 mt -128.93 55.17 1.74 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.8 tp -76.89 -63.22 1.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.973 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.7 m -128.22 40.44 3.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.839 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -78.33 -179.82 6.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -129.97 92.31 3.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.411 HG11 ' HG3' ' A' ' 104' ' ' MET . 8.2 t -98.84 131.08 46.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -174.14 157.34 2.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.119 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -42.74 137.02 2.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.122 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.612 HG22 ' O ' ' A' ' 76' ' ' THR . 23.8 m -64.66 -179.05 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.446 ' CD ' ' HD2' ' A' ' 67' ' ' PRO . 2.5 mm100 -131.01 161.85 59.15 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.575 0.702 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.446 ' HD2' ' CD ' ' A' ' 66' ' ' GLN . 53.8 Cg_endo -69.75 -9.07 25.21 Favored 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.672 2.248 . . . . 0.0 112.357 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.0 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.836 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.2 mmtm . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.796 0.331 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.479 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 2.5 m-70 65.21 41.86 4.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.612 ' O ' HG22 ' A' ' 65' ' ' VAL . 10.3 m -120.63 136.47 54.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.476 ' CE2' ' HB2' ' A' ' 89' ' ' PHE . 6.8 p90 -124.16 162.97 22.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.533 ' HB3' ' CE1' ' A' ' 88' ' ' PHE . 32.7 pttt -129.95 144.44 51.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.409 ' CB ' HG22 ' A' ' 62' ' ' VAL . . . -125.59 118.41 25.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.421 ' HB2' HG23 ' A' ' 86' ' ' THR . 35.9 tt0 -133.17 150.24 52.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.882 0.372 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.421 HG23 ' HB2' ' A' ' 80' ' ' GLU . 2.2 m -115.83 100.19 7.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -86.94 158.87 19.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.533 ' CE1' ' HB3' ' A' ' 78' ' ' LYS . 63.2 m-85 -140.86 130.03 23.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.865 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.476 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 42.0 m-85 -134.14 137.31 44.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 31.0 t -114.44 129.92 56.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -96.47 138.66 33.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.1 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -58.49 -43.84 89.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.8 m -115.6 160.13 35.93 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.669 0.747 . . . . 0.0 110.866 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.479 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 53.9 Cg_endo -69.82 -35.82 11.76 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.652 2.235 . . . . 0.0 112.346 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -59.61 -39.59 84.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -67.22 -49.82 63.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -42.01 -62.45 0.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -56.54 -50.01 73.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -48.3 -46.32 36.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 0.469 ' O ' ' N ' ' A' ' 102' ' ' GLN . 65.1 m95 -65.22 -62.92 1.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.936 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.438 ' C ' ' O ' ' A' ' 100' ' ' TRP . 86.4 mt -34.66 -34.06 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.105 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 100' ' ' TRP . 24.9 mt-30 -88.51 -54.06 4.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.916 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.57 -51.76 45.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.411 ' HG3' HG11 ' A' ' 62' ' ' VAL . 7.8 ptm -81.14 -38.49 27.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -55.02 -48.54 66.91 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.488 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.402 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 5.5 pt-20 -53.28 -42.92 67.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.891 0.377 . . . . 0.0 110.898 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.402 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -57.58 -27.61 62.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.092 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -86.13 -33.56 20.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.126 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.918 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 95.7 t . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.922 0.391 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.3 m -90.22 -43.24 10.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 35.0 tttp -156.59 149.31 23.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -157.33 134.26 10.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.065 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -174.28 162.75 33.24 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.551 ' CE3' ' HE2' ' A' ' 30' ' ' LYS . 92.4 m95 -73.93 107.84 6.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.782 0.325 . . . . 0.0 110.873 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.427 HD11 ' CE2' ' A' ' 100' ' ' TRP . 18.0 mt -120.18 129.7 54.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -78.62 116.48 19.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.88 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.1 tttt -88.2 139.94 29.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -81.95 127.02 32.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.098 179.884 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.786 0.327 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 45.5 m95 -119.51 154.11 34.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -140.56 133.26 28.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.551 ' HE2' ' CE3' ' A' ' 16' ' ' TRP . 21.5 tttm -70.01 127.62 33.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -147.72 142.8 27.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 48.4 t-105 -76.48 121.68 23.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -113.97 139.32 49.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 48.6 t -134.3 106.1 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.429 HD12 ' O ' ' A' ' 39' ' ' CYS . 25.2 tp -65.78 126.17 27.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.741 HG22 ' H ' ' A' ' 37' ' ' ASP . 2.3 p -120.91 179.25 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.741 ' H ' HG22 ' A' ' 36' ' ' VAL . 2.3 m-20 -51.59 114.83 1.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 57.3 mtt180 39.4 39.24 0.45 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.529 ' C ' HG12 ' A' ' 36' ' ' VAL . 1.5 m -166.55 173.57 9.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.4 tp -151.53 124.7 8.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.55 ' CE1' ' HB2' ' A' ' 54' ' ' SER . 85.2 m-85 -110.79 153.04 25.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.599 ' CD2' ' O ' ' A' ' 53' ' ' GLY . 20.8 p90 -136.66 137.91 40.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.943 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.583 ' CE2' HG12 ' A' ' 51' ' ' ILE . 2.7 m-85 -121.07 159.51 25.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -47.52 -48.04 27.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.861 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -147.39 177.64 9.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -50.74 -41.85 56.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.862 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.8 mtpp -42.61 -32.18 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.559 ' HG2' ' CD1' ' A' ' 43' ' ' TYR . 41.4 mt-10 58.46 43.54 19.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -48.97 -60.62 2.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 t -149.73 147.11 27.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.846 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.583 HG12 ' CE2' ' A' ' 43' ' ' TYR . 69.4 mt -72.35 128.64 35.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.108 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.502 ' HB2' ' CE1' ' A' ' 42' ' ' TYR . 25.8 mt -94.32 -48.08 6.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.599 ' O ' ' CD2' ' A' ' 42' ' ' TYR . . . -152.58 143.26 10.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.485 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.55 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 31.3 t -110.66 149.56 30.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.899 0.38 . . . . 0.0 110.808 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.56 HG12 ' CE2' ' A' ' 87' ' ' TYR . 23.1 mt -120.71 108.16 37.51 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.647 0.736 . . . . 0.0 111.112 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.505 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 54.0 Cg_endo -69.76 99.92 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.666 2.244 . . . . 0.0 112.369 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.521 HD13 ' HB2' ' A' ' 104' ' ' MET . 38.1 mt -82.53 51.28 1.82 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.3 tp -103.81 114.27 28.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 m 61.61 39.43 14.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.505 ' CE1' ' O ' ' A' ' 56' ' ' PRO . 7.6 m-85 -99.33 155.8 17.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 47.3 ttt85 -107.84 97.73 7.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 44.4 t -96.94 133.51 38.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.082 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -175.09 165.29 3.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.112 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -56.3 142.63 37.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.093 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 30.7 m -70.16 -174.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -133.59 161.45 63.68 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.586 0.707 . . . . 0.0 110.926 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 3.03 3.01 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.701 2.267 . . . . 0.0 112.359 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.9 m . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 -179.847 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.9 mmtm . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.821 0.343 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.549 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 1.4 m-70 51.41 47.04 25.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.915 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 23.6 m -124.91 139.85 53.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.558 ' CZ ' ' HB2' ' A' ' 89' ' ' PHE . 23.7 p90 -133.99 152.29 51.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 47.0 pttt -110.52 150.95 28.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -134.06 103.89 5.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.124 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -139.64 129.33 24.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.47 ' CD2' ' C ' ' A' ' 81' ' ' HIS . 1.1 t-160 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.898 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.0 ttp180 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.885 0.374 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 24.3 m -108.93 102.8 11.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.56 ' CE2' HG12 ' A' ' 55' ' ' ILE . 37.9 m-85 -83.62 118.91 24.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -102.88 141.9 34.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.558 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . 36.5 m-85 -140.19 125.47 18.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.9 t -106.82 112.92 26.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -83.39 133.38 34.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.107 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -49.09 -45.76 43.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.8 m -114.61 160.64 32.43 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.677 0.751 . . . . 0.0 110.849 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.549 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 53.5 Cg_endo -69.81 -29.77 23.09 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.681 2.254 . . . . 0.0 112.391 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -62.61 -39.36 93.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -68.61 -47.41 66.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.423 ' CD ' ' HA ' ' A' ' 75' ' ' HIS . 12.4 tt0 -45.22 -64.23 0.76 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -53.51 -48.9 68.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -49.69 -49.32 48.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.092 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 0.427 ' CE2' HD11 ' A' ' 17' ' ' LEU . 67.6 m95 -61.71 -58.34 8.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 81.4 mt -37.19 -37.31 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -87.15 -58.6 2.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -39.39 -67.3 0.23 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.521 ' HB2' HD13 ' A' ' 57' ' ' LEU . 11.6 ptp -72.5 -29.72 63.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.401 ' N ' ' HG3' ' A' ' 104' ' ' MET . . . -54.84 -53.02 42.24 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.533 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 107' ' ' ALA . 4.7 pt-20 -55.64 -42.46 75.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.851 0.358 . . . . 0.0 110.89 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.409 ' N ' ' HG3' ' A' ' 106' ' ' GLU . . . -64.37 -24.18 67.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.096 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -83.55 -42.01 17.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.086 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 8.7 ptt180 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.839 -179.881 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.8 p . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.891 0.377 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.5 m -89.92 -52.96 4.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.7 tttp -150.57 153.44 35.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.935 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.465 ' HB1' HG22 ' A' ' 34' ' ' VAL . . . -157.29 137.31 12.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.087 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 179.83 169.32 39.92 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.45 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.525 ' CD2' ' HE2' ' A' ' 30' ' ' LYS . 98.4 m95 -77.77 123.4 26.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.804 0.335 . . . . 0.0 110.939 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.6 mt -133.75 131.4 39.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -79.74 115.54 19.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.6 tttm -91.29 126.28 36.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.417 ' OE1' ' CZ2' ' A' ' 28' ' ' TRP . 18.1 tt0 -63.67 134.66 55.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.888 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.76 0.314 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.417 ' CZ2' ' OE1' ' A' ' 20' ' ' GLN . 21.6 m95 -125.69 136.8 53.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -121.99 155.44 35.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.525 ' HE2' ' CD2' ' A' ' 16' ' ' TRP . 73.2 tttt -94.29 142.0 27.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -156.28 153.87 29.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.834 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 75.4 t-105 -85.62 114.2 22.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -106.61 139.82 40.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.465 HG22 ' HB1' ' A' ' 14' ' ' ALA . 71.7 t -134.99 103.73 4.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.111 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.481 HD12 ' O ' ' A' ' 39' ' ' CYS . 27.2 tp -61.76 128.27 35.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.626 HG22 ' H ' ' A' ' 37' ' ' ASP . 0.8 OUTLIER -123.11 178.74 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.162 179.848 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.626 ' H ' HG22 ' A' ' 36' ' ' VAL . 6.6 p-10 -45.1 115.9 1.0 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.849 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.472 ' HA ' ' HB1' ' A' ' 107' ' ' ALA . 50.0 mtt180 34.27 32.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.506 ' N ' ' O ' ' A' ' 37' ' ' ASP . 1.7 m -154.58 176.67 12.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 28.9 tp -151.87 127.5 10.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -115.02 160.44 19.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.576 ' CE2' ' HB2' ' A' ' 52' ' ' LEU . 48.6 p90 -141.26 141.21 34.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.94 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.51 ' CD2' ' HG3' ' A' ' 48' ' ' GLU . 1.4 m-85 -131.05 161.34 32.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.865 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.46 ' HG2' HD11 ' A' ' 52' ' ' LEU . 10.3 mmtp -48.46 -47.06 38.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.92 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -148.01 -178.86 6.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 47' ' ' LYS . 3.1 pp20? -53.87 -43.57 69.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 46' ' ' GLU . 5.6 mmmm -36.26 -43.42 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.51 ' HG3' ' CD2' ' A' ' 43' ' ' TYR . 24.5 tt0 70.7 45.0 0.6 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -47.68 -61.31 2.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 58.0 p -150.44 159.47 44.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 72.9 mt -81.31 129.77 36.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.102 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.576 ' HB2' ' CE2' ' A' ' 42' ' ' TYR . 6.7 mt -94.4 -47.17 6.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.956 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.411 ' CA ' ' CE1' ' A' ' 42' ' ' TYR . . . -150.46 151.49 23.52 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.481 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 24.6 p -114.24 135.18 54.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.833 0.349 . . . . 0.0 110.878 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.414 ' HA ' ' HD2' ' A' ' 56' ' ' PRO . 28.9 mt -115.67 104.99 52.44 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.628 0.728 . . . . 0.0 111.121 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 55' ' ' ILE . 53.9 Cg_endo -69.75 105.28 1.46 Allowed 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.64 2.227 . . . . 0.0 112.338 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 24.3 mt -86.68 44.54 1.17 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.3 tp -93.22 105.32 17.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.1 t 69.3 38.81 1.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.584 ' CD1' ' HB2' ' A' ' 81' ' ' HIS . 8.6 m-85 -101.87 124.84 48.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -78.42 102.12 7.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 46.3 t -96.22 128.22 47.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.058 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -174.89 151.5 1.39 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.063 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.84 143.44 1.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.087 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 14.5 m -50.39 -178.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.166 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -115.48 157.69 43.48 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.567 0.699 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -11.74 31.45 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.692 2.261 . . . . 0.0 112.322 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.853 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.777 0.322 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.505 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 3.5 m-70 38.37 42.69 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.824 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.475 HG23 ' O ' ' A' ' 89' ' ' PHE . 24.9 m -106.13 150.05 26.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 89' ' ' PHE . 21.8 p90 -139.82 152.49 46.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 46.7 pttt -117.96 151.32 37.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.854 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -125.59 103.02 7.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.059 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -120.0 130.15 54.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.584 ' HB2' ' CD1' ' A' ' 60' ' ' PHE . 1.2 t-160 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 19.2 ttm180 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.904 0.383 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.5 m -140.1 106.31 5.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.101 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -81.78 166.57 19.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -144.96 118.85 9.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . 34.1 m-85 -124.51 132.74 53.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 31.9 t -113.75 115.55 27.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -85.74 130.8 34.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.068 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -50.07 -44.51 51.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.1 m -112.9 153.41 45.2 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.668 0.747 . . . . 0.0 110.845 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.505 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 53.8 Cg_endo -69.75 -19.76 35.76 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.698 2.265 . . . . 0.0 112.316 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -73.0 -36.58 67.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -72.56 -45.07 61.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -44.6 -56.37 4.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.936 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -60.82 -50.23 74.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -48.97 -47.23 44.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.102 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 57.6 m95 -64.03 -58.01 7.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 74.9 mt -38.74 -39.24 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.164 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -83.83 -55.29 4.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -43.39 -62.9 0.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 7.1 ptp -75.62 -27.33 58.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -58.45 -51.85 56.29 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.506 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -55.86 -41.81 74.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.359 . . . . 0.0 110.863 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.472 ' HB1' ' HA ' ' A' ' 38' ' ' ARG . . . -60.56 -29.85 69.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.082 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.476 ' HB1' ' H ' ' A' ' 60' ' ' PHE . . . -87.95 -36.37 17.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.917 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.7 p . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.972 0.415 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.9 m -92.0 -50.6 5.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.198 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.6 tttp -154.18 152.07 29.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.936 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -159.75 134.81 8.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -176.16 164.93 35.13 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.421 ' CH2' ' HA ' ' A' ' 45' ' ' ASP . 92.4 m95 -74.37 110.87 9.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.824 0.345 . . . . 0.0 110.952 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.461 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 12.6 mt -119.86 140.14 51.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.517 ' CZ ' ' HD2' ' A' ' 30' ' ' LYS . 11.6 m-85 -86.47 118.93 26.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.9 tttt -95.45 124.06 39.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.911 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.443 ' NE2' ' CZ2' ' A' ' 28' ' ' TRP . 3.6 tp-100 -61.0 150.94 31.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 179.878 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.2 pt20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.823 0.344 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . 0.443 ' CZ2' ' NE2' ' A' ' 20' ' ' GLN . 40.2 m95 -122.34 130.43 53.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -107.48 122.12 45.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.517 ' HD2' ' CZ ' ' A' ' 18' ' ' PHE . 48.3 tttt -68.42 125.77 27.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.483 ' NE ' ' HA ' ' A' ' 44' ' ' LYS . 1.4 tpm_? -143.71 154.17 43.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 75.9 t-105 -83.3 117.15 22.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.461 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 37.9 m-85 -108.05 140.89 40.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.862 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 99.6 t -138.37 106.07 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.162 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.609 HD12 ' O ' ' A' ' 39' ' ' CYS . 18.4 tp -68.21 123.57 21.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.723 HG22 ' H ' ' A' ' 37' ' ' ASP . 1.1 p -117.18 -177.44 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.153 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.723 ' H ' HG22 ' A' ' 36' ' ' VAL . 5.9 p-10 -48.16 114.88 1.02 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.533 ' HA ' ' HB1' ' A' ' 107' ' ' ALA . 37.4 mtt180 36.2 31.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.609 ' O ' HD12 ' A' ' 35' ' ' LEU . 1.7 m -153.57 175.62 13.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 32.5 tp -150.58 125.41 9.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.959 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -113.85 155.11 26.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.582 ' CE1' ' HB2' ' A' ' 52' ' ' LEU . 39.2 p90 -139.35 142.87 37.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.546 ' CD1' ' HG2' ' A' ' 48' ' ' GLU . 2.1 m-85 -130.93 153.8 48.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.483 ' HA ' ' NE ' ' A' ' 31' ' ' ARG . 25.1 mttm -42.47 -43.08 3.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.929 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.421 ' HA ' ' CH2' ' A' ' 16' ' ' TRP . 1.7 m-20 -151.71 -179.31 7.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.0 -17.83 19.98 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -58.96 -35.98 74.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.546 ' HG2' ' CD1' ' A' ' 43' ' ' TYR . 16.7 mt-10 55.73 42.69 28.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -54.89 -51.39 66.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 51.4 m -153.59 139.02 17.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 48.9 mt -65.54 132.17 31.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.11 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.582 ' HB2' ' CE1' ' A' ' 42' ' ' TYR . 91.9 mt -96.07 -43.85 7.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.936 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.43 ' HA3' ' CE2' ' A' ' 42' ' ' TYR . . . -150.81 150.51 22.51 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 53.0 p -119.17 126.79 52.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.842 0.353 . . . . 0.0 110.832 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.409 ' HA ' ' HD2' ' A' ' 56' ' ' PRO . 21.6 mt -104.71 104.93 48.48 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.605 0.717 . . . . 0.0 111.166 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 55' ' ' ILE . 53.0 Cg_endo -69.84 100.87 0.86 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.68 2.253 . . . . 0.0 112.301 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 38.5 mt -93.6 42.76 1.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.1 tp -59.19 -64.05 1.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 52.4 m -130.89 39.57 3.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.426 ' O ' ' HB1' ' A' ' 108' ' ' ALA . 5.6 m-85 -78.82 161.87 26.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 78.2 ttt-85 -115.08 93.99 4.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.588 HG11 ' HG3' ' A' ' 104' ' ' MET . 6.5 t -95.53 129.39 45.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 64' ' ' ALA . . . -172.26 152.03 2.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.076 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 63' ' ' ALA . . . -35.59 150.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.075 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.701 HG22 ' O ' ' A' ' 76' ' ' THR . 3.9 m -62.96 171.32 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -99.47 155.18 36.8 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.599 0.714 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -2.59 10.45 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.645 2.23 . . . . 0.0 112.324 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 89.7 p . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.896 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 75' ' ' HIS . 22.5 mtpp . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.798 0.332 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.465 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 3.4 m-70 34.91 43.47 0.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.869 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.701 ' O ' HG22 ' A' ' 65' ' ' VAL . 89.3 m -106.93 142.33 36.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.124 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.577 ' CE2' ' HB2' ' A' ' 89' ' ' PHE . 3.3 p90 -125.82 158.64 34.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.7 pttt -115.01 150.12 36.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -129.92 107.64 9.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.081 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -141.33 124.19 16.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.432 ' CD2' ' C ' ' A' ' 81' ' ' HIS . 2.8 t-160 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.843 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 43.8 ttt180 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.87 0.367 . . . . 0.0 110.908 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 17.6 m -122.44 107.73 12.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.119 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -86.36 156.6 20.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -130.96 119.76 22.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.577 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 56.1 m-85 -122.27 129.07 51.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 11.5 t -110.68 133.28 53.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.804 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -105.71 133.94 49.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -56.43 -39.92 73.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 72.3 m -117.74 151.95 49.23 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.668 0.746 . . . . 0.0 110.885 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.465 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 53.1 Cg_endo -69.84 -16.18 37.1 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.642 2.228 . . . . 0.0 112.365 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -78.63 -30.81 46.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -77.99 -40.23 39.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.876 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -48.68 -55.03 12.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -61.63 -55.43 30.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -43.12 -46.83 5.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.099 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 0.439 ' O ' ' C ' ' A' ' 101' ' ' ILE . 55.0 m95 -66.19 -65.34 0.69 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.439 ' C ' ' O ' ' A' ' 100' ' ' TRP . 81.8 mt -35.02 -39.06 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.1 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -79.41 -48.37 14.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.0 -55.7 31.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.588 ' HG3' HG11 ' A' ' 62' ' ' VAL . 4.7 ptm -74.3 -42.94 58.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -54.32 -53.36 38.43 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.481 ' HA ' ' NE ' ' A' ' 109' ' ' ARG . 4.0 pt-20 -53.44 -43.19 67.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.884 0.373 . . . . 0.0 110.906 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.533 ' HB1' ' HA ' ' A' ' 38' ' ' ARG . . . -52.12 -26.72 11.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.426 ' HB1' ' O ' ' A' ' 60' ' ' PHE . . . -76.92 -41.35 43.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.137 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.481 ' NE ' ' HA ' ' A' ' 106' ' ' GLU . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 91.0 t . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.944 0.402 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.2 m -85.09 -55.11 4.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -149.65 143.69 25.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.45 ' HB1' ' CZ2' ' A' ' 32' ' ' TRP . . . -143.05 127.67 18.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -168.03 159.84 33.2 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.521 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.52 ' CE3' ' HE2' ' A' ' 30' ' ' LYS . 83.3 m95 -75.01 119.39 19.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.803 0.335 . . . . 0.0 110.895 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.49 HD11 ' CD2' ' A' ' 100' ' ' TRP . 29.4 mt -129.85 141.5 50.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -86.5 122.59 30.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.6 tttm -99.57 127.2 45.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -72.65 140.8 48.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.924 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.8 pt20 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.82 0.343 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 36.6 m95 -112.76 144.84 41.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -131.93 108.14 9.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.52 ' HE2' ' CE3' ' A' ' 16' ' ' TRP . 81.8 tttt -46.12 136.66 6.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.7 tpp180 -155.17 148.74 25.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.45 ' CZ2' ' HB1' ' A' ' 14' ' ' ALA . 67.4 t-105 -80.92 121.82 26.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.413 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 45.5 m-85 -114.22 136.36 53.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.876 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 94.5 t -133.95 97.91 2.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.166 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.611 HD12 ' O ' ' A' ' 39' ' ' CYS . 24.9 tp -58.35 132.26 53.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.739 HG22 ' H ' ' A' ' 37' ' ' ASP . 1.2 p -123.85 -176.68 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.739 ' H ' HG22 ' A' ' 36' ' ' VAL . 2.6 m-20 -55.57 114.83 2.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.4 mtm180 40.26 38.27 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.611 ' O ' HD12 ' A' ' 35' ' ' LEU . 2.0 m -166.13 175.58 8.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.8 tp -150.71 127.47 10.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.942 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.595 ' CE1' ' HB2' ' A' ' 54' ' ' SER . 84.3 m-85 -118.09 154.55 31.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.531 ' CE1' ' O ' ' A' ' 53' ' ' GLY . 47.6 p90 -137.59 151.22 48.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.945 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.467 ' CD1' ' N ' ' A' ' 43' ' ' TYR . 2.0 m-85 -129.95 158.62 39.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.6 tttm -47.4 -48.05 26.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 46' ' ' GLU . 5.8 t70 -151.52 166.93 29.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.493 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 32.1 tt0 -44.32 -33.73 1.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -37.93 -35.46 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.911 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.426 ' OE2' ' CE1' ' A' ' 43' ' ' TYR . 18.0 mm-40 62.12 45.9 6.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.863 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -67.32 -57.15 7.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 67.6 m -155.71 151.1 26.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.412 HG12 ' CE2' ' A' ' 43' ' ' TYR . 85.0 mt -76.07 128.02 37.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.165 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.5 mp -88.21 -35.05 17.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.531 ' O ' ' CE1' ' A' ' 42' ' ' TYR . . . -167.92 153.08 22.04 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.595 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 12.0 p -112.3 149.99 31.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.927 0.394 . . . . 0.0 110.815 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 66.3 mt -121.82 117.37 29.88 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.637 0.732 . . . . 0.0 111.103 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 125.52 12.23 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.683 2.255 . . . . 0.0 112.357 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 58' ' ' LEU . 23.3 mt -120.99 22.78 10.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 57' ' ' LEU . 1.7 tp -34.73 -69.28 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 68.0 m -129.06 7.4 5.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.587 ' CZ ' ' HB2' ' A' ' 81' ' ' HIS . 8.0 m-85 -40.68 141.94 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -98.36 101.31 12.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.775 HG21 ' HG3' ' A' ' 104' ' ' MET . 32.5 t -96.38 129.07 46.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -171.0 161.24 6.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.39 138.46 7.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 76' ' ' THR . 7.5 m -52.53 179.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.133 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -110.39 160.23 29.22 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.562 0.696 . . . . 0.0 110.917 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -16.37 37.54 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.71 2.273 . . . . 0.0 112.333 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.831 -179.802 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.4 mmmt . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.795 0.331 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.496 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 2.7 m-70 51.86 52.12 15.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.471 ' O ' HG22 ' A' ' 65' ' ' VAL . 7.1 m -117.27 145.38 44.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.099 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.585 ' CD1' ' N ' ' A' ' 77' ' ' PHE . 0.3 OUTLIER -131.79 162.47 30.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.506 ' HB3' ' CE2' ' A' ' 88' ' ' PHE . 39.7 pttt -123.96 138.81 54.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.919 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.406 ' CB ' HG22 ' A' ' 62' ' ' VAL . . . -126.47 102.92 7.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -121.04 154.48 36.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.587 ' HB2' ' CZ ' ' A' ' 60' ' ' PHE . 10.0 t-160 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.8 ttt-85 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.858 0.361 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.2 m -124.3 105.52 9.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -85.76 150.81 24.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.506 ' CE2' ' HB3' ' A' ' 78' ' ' LYS . 40.6 m-85 -137.94 123.55 19.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.862 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.567 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 72.6 m-85 -121.45 140.58 51.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.7 t -119.84 130.83 55.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -104.86 126.61 52.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.095 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -53.05 -40.41 63.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.2 m -111.62 150.72 42.62 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.702 0.763 . . . . 0.0 110.848 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.496 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 53.9 Cg_endo -69.78 -29.97 22.93 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.713 2.275 . . . . 0.0 112.369 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -68.33 -25.53 65.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -80.71 -52.49 7.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -38.92 -59.8 0.93 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -58.69 -46.6 86.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -52.22 -45.04 65.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.088 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 0.49 ' CD2' HD11 ' A' ' 17' ' ' LEU . 64.1 m95 -68.9 -55.24 11.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.471 HD11 ' HB3' ' A' ' 77' ' ' PHE . 61.8 mt -43.1 -33.62 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.097 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -85.48 -51.49 6.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.81 -65.97 0.47 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.119 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.775 ' HG3' HG21 ' A' ' 62' ' ' VAL . 3.5 ptm -67.25 -27.23 67.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -63.26 -47.95 83.53 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.431 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 4.7 pt-20 -58.24 -44.13 88.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.824 0.345 . . . . 0.0 110.882 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.431 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -48.51 -33.58 9.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 60' ' ' PHE . . . -74.35 -43.19 57.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 33.0 mtp85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.925 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 62.2 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.894 0.378 . . . . 0.0 111.152 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.6 m -84.02 -55.28 4.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.2 tttp -148.78 149.08 30.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -155.69 134.75 12.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.09 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.543 ' HA2' ' CZ3' ' A' ' 32' ' ' TRP . . . -176.59 163.77 33.06 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.494 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.454 ' CH2' ' HA ' ' A' ' 45' ' ' ASP . 95.0 m95 -73.57 117.31 15.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.809 0.338 . . . . 0.0 110.906 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.584 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 25.0 mt -128.2 139.67 52.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.47 ' CE2' ' HB2' ' A' ' 30' ' ' LYS . 3.6 m-85 -91.22 119.15 31.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.897 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.2 tttm -100.34 119.57 38.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -51.58 130.31 27.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.075 179.958 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.814 0.34 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 71.1 m95 -110.31 122.78 48.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -107.16 122.33 46.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.47 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . 21.2 tttm -68.23 126.39 29.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.7 tpp180 -142.93 150.88 40.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.543 ' CZ3' ' HA2' ' A' ' 15' ' ' GLY . 62.1 t-105 -81.2 123.13 28.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.584 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 38.0 m-85 -113.96 138.26 50.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.845 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 59.4 t -136.8 104.97 3.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.153 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.896 HD12 ' O ' ' A' ' 39' ' ' CYS . 21.6 tp -73.33 120.0 18.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.735 HG22 ' H ' ' A' ' 37' ' ' ASP . 1.2 p -110.34 -177.09 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.118 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.735 ' H ' HG22 ' A' ' 36' ' ' VAL . 8.5 p-10 -43.73 115.73 0.85 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 37' ' ' ASP . 52.2 mtt180 35.68 32.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.896 ' O ' HD12 ' A' ' 35' ' ' LEU . 4.0 m -154.06 172.12 18.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.0 tp -150.68 120.86 7.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.582 ' CE2' ' HB2' ' A' ' 54' ' ' SER . 79.7 m-85 -117.77 146.22 43.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.594 ' CE2' ' HB2' ' A' ' 52' ' ' LEU . 42.9 p90 -122.55 152.12 40.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.531 ' CD1' ' N ' ' A' ' 43' ' ' TYR . 0.5 OUTLIER -139.46 168.8 19.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.958 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.496 ' HD2' HD11 ' A' ' 52' ' ' LEU . 1.8 mptp? -54.07 -43.77 70.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.454 ' HA ' ' CH2' ' A' ' 16' ' ' TRP . 3.2 m-20 -156.04 -175.41 5.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -48.0 -32.03 6.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 48' ' ' GLU . 37.7 mttp -45.03 -34.94 2.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.52 ' HA ' ' CG ' ' A' ' 43' ' ' TYR . 12.6 pt-20 34.54 44.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -88.52 -32.38 18.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.6 t -123.42 121.56 36.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.824 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.44 HG12 ' CE2' ' A' ' 43' ' ' TYR . 97.4 mt -78.0 131.65 34.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.098 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.594 ' HB2' ' CE2' ' A' ' 42' ' ' TYR . 10.9 mt -95.33 -47.48 6.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.942 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -155.62 154.05 25.23 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.524 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.582 ' HB2' ' CE2' ' A' ' 41' ' ' PHE . 21.8 p -116.98 136.73 52.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.796 0.331 . . . . 0.0 110.876 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.426 ' HA ' ' HD2' ' A' ' 56' ' ' PRO . 59.1 mt -118.87 104.88 46.21 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.602 0.715 . . . . 0.0 111.161 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.469 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 54.1 Cg_endo -69.7 93.55 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.365 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.564 HD13 ' HB2' ' A' ' 104' ' ' MET . 84.7 mt -83.29 56.88 3.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.957 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.3 tp -88.05 -58.95 2.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.8 t -127.44 47.18 2.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.469 ' CE1' ' O ' ' A' ' 56' ' ' PRO . 9.5 m-85 -91.05 166.04 13.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 58.5 ttt180 -117.49 94.58 4.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.8 t -94.34 130.46 43.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 64' ' ' ALA . . . -175.11 148.07 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 63' ' ' ALA . . . -36.59 132.05 0.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.08 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 17.3 m -49.68 162.92 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -96.64 158.16 34.1 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.624 0.726 . . . . 0.0 110.93 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 1.59 4.29 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.722 2.282 . . . . 0.0 112.306 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 91.2 p . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.845 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.3 mtmm . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.818 0.342 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.505 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 3.5 m-70 58.78 46.48 14.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.635 HG23 ' O ' ' A' ' 89' ' ' PHE . 23.8 m -122.07 145.87 47.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.096 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -129.66 167.21 18.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.821 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.6 pttp -123.6 147.07 47.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -137.37 109.27 7.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.528 ' HB3' HG23 ' A' ' 86' ' ' THR . 3.0 pt-20 -135.62 148.37 48.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 -179.964 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.403 ' HG3' ' N ' ' A' ' 86' ' ' THR . 6.1 tpm_? . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.921 0.391 . . . . 0.0 110.883 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.528 HG23 ' HB3' ' A' ' 80' ' ' GLU . 23.6 m -103.99 140.8 37.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.17 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -121.25 155.83 33.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.942 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -140.15 124.63 17.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.635 ' O ' HG23 ' A' ' 76' ' ' THR . 39.2 m-85 -130.84 131.34 44.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.6 t -106.95 130.67 54.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.837 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -100.94 132.13 46.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -50.04 -46.74 53.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.9 m -111.46 159.82 31.64 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.663 0.744 . . . . 0.0 110.827 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.505 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 54.2 Cg_endo -69.74 -31.82 19.88 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.714 2.276 . . . . 0.0 112.359 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -61.04 -40.57 94.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 97' ' ' GLN . 6.1 mt-10 -66.18 -55.3 16.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 96' ' ' GLU . 10.4 tt0 -37.7 -63.78 0.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -56.27 -49.04 75.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -46.69 -50.67 17.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.081 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 0.573 ' CE2' HD11 ' A' ' 17' ' ' LEU . 70.8 m95 -61.51 -57.76 10.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.951 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 96.8 mt -38.93 -31.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -91.53 -51.55 5.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -49.62 -60.12 3.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.564 ' HB2' HD13 ' A' ' 57' ' ' LEU . 17.3 ptp -76.63 -35.83 57.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.869 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.435 ' N ' ' HG3' ' A' ' 104' ' ' MET . . . -56.34 -42.61 89.23 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.451 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -65.2 -38.66 91.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.862 0.363 . . . . 0.0 110.874 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -68.9 -23.62 64.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.078 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -92.3 -36.65 13.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 -179.928 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.4 p . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.84 0.353 . . . . 0.0 111.142 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.6 m -97.16 -51.47 4.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.9 tttp -152.06 146.11 25.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.424 ' HB1' ' CZ2' ' A' ' 32' ' ' TRP . . . -149.87 127.12 11.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -169.36 163.49 37.11 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.465 ' CE3' ' HE2' ' A' ' 30' ' ' LYS . 95.4 m95 -75.4 115.57 15.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.813 0.339 . . . . 0.0 110.901 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.8 mt -125.24 139.23 53.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -89.89 118.81 29.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.5 tttm -96.79 127.27 42.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -66.03 134.86 53.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.915 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.081 179.927 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.785 0.326 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 65.6 m95 -123.82 126.08 45.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -111.76 121.64 45.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.465 ' HE2' ' CE3' ' A' ' 16' ' ' TRP . 81.0 tttt -63.39 137.88 58.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 -157.71 148.34 20.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.424 ' CZ2' ' HB1' ' A' ' 14' ' ' ALA . 70.5 t-105 -79.93 117.96 21.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.607 ' HD2' HD21 ' A' ' 40' ' ' LEU . 28.8 m-85 -111.82 131.41 55.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 94.7 t -129.43 104.11 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.171 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.408 HD12 ' N ' ' A' ' 36' ' ' VAL . 15.0 tp -61.53 132.66 54.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.719 HG22 ' H ' ' A' ' 37' ' ' ASP . 0.8 OUTLIER -125.81 -173.41 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.139 179.855 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.719 ' H ' HG22 ' A' ' 36' ' ' VAL . 7.3 t0 -55.11 121.97 9.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.49 ' C ' ' O ' ' A' ' 37' ' ' ASP . 7.4 mtt85 30.27 38.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.508 ' HB3' ' CG1' ' A' ' 36' ' ' VAL . 1.6 t -168.96 171.99 7.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.607 HD21 ' HD2' ' A' ' 33' ' ' PHE . 27.5 tp -145.17 139.96 27.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -127.01 150.03 49.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.534 ' CE2' ' HA3' ' A' ' 53' ' ' GLY . 43.4 p90 -130.94 144.16 51.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.54 ' CD2' ' HA ' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -130.34 162.09 29.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.912 -179.887 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.3 tttm -55.36 -42.47 73.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.885 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.79 177.53 9.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.846 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -51.57 -25.46 6.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.479 ' O ' ' C ' ' A' ' 48' ' ' GLU . 20.0 mmtm -48.05 -32.28 6.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.54 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 2.4 pp20? 32.02 37.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 47' ' ' LYS . 7.0 mm-40 -72.7 -35.4 67.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 83.0 p -139.02 126.54 21.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.1 mt -69.04 141.38 17.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.433 ' HB2' ' CE1' ' A' ' 42' ' ' TYR . 22.7 mt -103.54 -43.43 5.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.964 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.534 ' HA3' ' CE2' ' A' ' 42' ' ' TYR . . . -146.43 151.18 23.47 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.462 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 84.3 p -117.11 136.5 52.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.87 0.367 . . . . 0.0 110.854 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 17.5 mt -119.54 106.07 42.81 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.653 0.739 . . . . 0.0 111.123 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 97.33 0.63 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.73 2.286 . . . . 0.0 112.356 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 13.9 mt -81.02 41.91 0.61 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.3 tp -92.91 113.23 25.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 m 63.93 39.57 8.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.436 ' CD1' ' HB2' ' A' ' 81' ' ' HIS . 7.2 m-85 -103.67 142.79 33.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.821 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 39.3 ttp180 -99.21 111.67 24.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.879 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.3 t -106.43 131.54 55.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.159 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -174.25 158.75 3.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.43 143.43 6.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.057 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.658 HG22 ' O ' ' A' ' 76' ' ' THR . 30.3 m -66.2 -178.15 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -129.48 161.34 59.5 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.655 0.741 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 2.01 3.95 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.686 2.258 . . . . 0.0 112.336 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.888 -179.871 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.7 mtmt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.843 0.354 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.546 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 3.9 m-70 39.16 44.4 0.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.658 ' O ' HG22 ' A' ' 65' ' ' VAL . 4.2 m -117.84 129.56 55.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.423 ' CZ ' ' HB2' ' A' ' 89' ' ' PHE . 13.0 p90 -120.92 159.89 24.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.474 ' HB3' HG12 ' A' ' 65' ' ' VAL . 41.3 pttt -125.76 147.06 49.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -121.09 107.42 12.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.179 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 62.6 tt0 -131.53 136.89 48.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.841 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.484 ' C ' ' CD2' ' A' ' 81' ' ' HIS . 1.8 t-160 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 8.4 ttm180 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.916 0.389 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.413 HG22 ' CE1' ' A' ' 88' ' ' PHE . 15.4 m -128.55 100.93 5.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -85.97 160.28 19.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.413 ' CE1' HG22 ' A' ' 86' ' ' THR . 87.1 m-85 -142.42 134.46 27.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.856 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.45 ' O ' HG23 ' A' ' 76' ' ' THR . 30.3 m-85 -137.81 140.4 40.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 16.1 t -119.04 107.69 13.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.24 129.53 35.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -51.6 -44.86 62.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.4 m -112.3 157.31 40.35 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.663 0.744 . . . . 0.0 110.845 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.546 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 53.5 Cg_endo -69.72 -33.94 15.71 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.704 2.269 . . . . 0.0 112.322 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -62.45 -31.48 72.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -75.18 -48.58 22.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -42.69 -65.75 0.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.957 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -53.09 -48.71 67.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -49.91 -46.25 51.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 59.6 m95 -66.84 -58.8 4.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 59.6 mt -39.23 -34.51 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -88.45 -47.01 8.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.2 -61.91 1.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 6.2 ptp -76.04 -21.8 56.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -68.73 -46.18 62.27 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.503 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.411 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 6.9 pt-20 -61.3 -43.11 99.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.851 0.358 . . . . 0.0 110.861 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.411 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -51.62 -30.65 22.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.122 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.14 -43.41 70.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.079 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.851 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 85.3 t . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.897 0.38 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.8 m -83.85 -54.89 4.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.5 tttp -151.27 151.55 31.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -155.27 135.1 12.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.074 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -171.8 168.34 41.43 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.46 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.463 ' CE3' ' HE2' ' A' ' 30' ' ' LYS . 93.3 m95 -78.14 118.14 20.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.777 0.322 . . . . 0.0 110.921 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.558 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 60.2 mt -131.2 141.52 50.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.951 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -90.91 131.11 36.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -104.69 110.37 22.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -51.08 129.06 23.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.108 179.944 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.829 0.347 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 30.7 m95 -98.04 145.58 26.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 -126.67 109.57 12.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.934 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.463 ' HE2' ' CE3' ' A' ' 16' ' ' TRP . 74.7 tttt -51.24 140.12 17.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.49 148.5 23.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.469 ' CD1' ' HA ' ' A' ' 46' ' ' GLU . 65.5 t-105 -81.59 123.35 28.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.558 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 50.7 m-85 -114.41 146.11 41.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 60.3 t -143.82 106.49 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.418 HD12 ' O ' ' A' ' 39' ' ' CYS . 45.2 tp -63.17 131.48 48.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.96 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.728 HG22 ' H ' ' A' ' 37' ' ' ASP . 0.9 OUTLIER -129.0 -173.73 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.152 179.86 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.728 ' H ' HG22 ' A' ' 36' ' ' VAL . 1.3 m-20 -49.32 115.49 1.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.469 ' C ' ' O ' ' A' ' 37' ' ' ASP . 12.7 mtm105 30.75 43.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.52 ' HB3' ' CG1' ' A' ' 36' ' ' VAL . 1.2 t -166.6 170.82 12.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.5 tp -143.97 123.46 13.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.534 ' CE1' ' HB2' ' A' ' 54' ' ' SER . 82.7 m-85 -110.64 149.6 30.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.7 p90 -132.49 139.94 48.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.566 ' CE2' HG12 ' A' ' 51' ' ' ILE . 0.3 OUTLIER -128.93 163.71 24.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.9 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.871 ' HG2' HD11 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -47.45 -43.47 24.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.926 179.898 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -153.23 -176.16 5.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.469 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 8.9 pt-20 -50.91 -33.7 25.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -43.17 -38.36 2.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.507 ' HA ' ' CG ' ' A' ' 43' ' ' TYR . 14.6 pt-20 41.1 33.68 0.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -65.44 -40.13 92.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 41.5 t -133.97 139.81 46.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.566 HG12 ' CE2' ' A' ' 43' ' ' TYR . 44.5 mt -87.31 135.73 24.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.147 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.871 HD11 ' HG2' ' A' ' 44' ' ' LYS . 6.2 mt -103.34 -46.62 4.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -151.56 146.41 15.18 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.475 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.534 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 10.9 t -114.65 159.89 19.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.841 0.353 . . . . 0.0 110.883 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 29.2 mt -132.01 118.08 16.26 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.646 0.736 . . . . 0.0 111.137 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.557 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 53.6 Cg_endo -69.73 118.25 5.57 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.703 2.269 . . . . 0.0 112.315 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 57' ' ' LEU . 19.4 mt -108.8 53.3 0.69 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.912 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.446 ' O ' ' NE2' ' A' ' 81' ' ' HIS . 21.6 tp -101.15 111.15 23.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.5 t 60.93 26.43 16.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.637 ' N ' ' HB1' ' A' ' 108' ' ' ALA . 5.2 m-85 -76.08 158.15 32.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -110.67 93.51 4.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.58 HG11 ' SD ' ' A' ' 104' ' ' MET . 11.0 t -97.01 123.59 49.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.409 ' HA ' HG23 ' A' ' 101' ' ' ILE . . . -168.11 146.4 4.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.061 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 63' ' ' ALA . . . -36.41 139.73 0.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.771 HG22 ' O ' ' A' ' 76' ' ' THR . 4.4 m -50.93 179.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.453 ' CD ' ' HD2' ' A' ' 67' ' ' PRO . 5.0 mm-40 -111.05 161.86 23.2 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.647 0.737 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.453 ' HD2' ' CD ' ' A' ' 66' ' ' GLN . 53.8 Cg_endo -69.7 -21.58 33.55 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.735 2.29 . . . . 0.0 112.378 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 83.7 p . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.822 -179.806 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 75' ' ' HIS . 28.8 mttp . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.761 0.315 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 74' ' ' LYS . 2.6 m-70 34.54 53.26 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.849 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.771 ' O ' HG22 ' A' ' 65' ' ' VAL . 90.7 m -116.34 138.19 51.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.086 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.486 ' CZ ' ' HB2' ' A' ' 89' ' ' PHE . 18.3 p90 -121.15 160.7 23.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.845 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 36.4 pttt -119.43 141.73 48.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -133.72 108.92 8.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.424 ' HB3' HG23 ' A' ' 86' ' ' THR . 3.7 pm0 -128.21 156.3 43.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.449 ' HB2' ' CZ ' ' A' ' 60' ' ' PHE . 9.2 t-160 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 26.9 ttm180 . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.843 0.354 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.424 HG23 ' HB3' ' A' ' 80' ' ' GLU . 35.6 m -112.07 131.64 55.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -106.71 139.71 40.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -118.08 118.95 33.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.769 ' O ' HG23 ' A' ' 76' ' ' THR . 64.8 m-85 -123.32 135.08 54.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 42.5 t -112.14 132.07 55.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.827 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -104.92 126.92 52.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.121 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -48.3 -40.86 26.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.945 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.7 m -117.68 154.51 50.93 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.685 0.755 . . . . 0.0 110.849 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -26.69 27.36 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.674 2.249 . . . . 0.0 112.318 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -68.81 -35.86 77.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -72.25 -44.74 62.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -47.13 -60.45 2.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -56.49 -49.49 74.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -49.4 -46.32 47.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.104 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 54.1 m95 -66.88 -55.08 16.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.409 HG23 ' HA ' ' A' ' 63' ' ' ALA . 81.8 mt -41.69 -34.88 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.149 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -87.12 -50.62 6.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -51.3 -57.63 8.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.1 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.58 ' SD ' HG11 ' A' ' 62' ' ' VAL . 5.2 ptp -80.28 -17.24 52.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -71.27 -43.82 54.24 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.506 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.412 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 5.0 pt-20 -66.2 -42.44 88.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.926 0.393 . . . . 0.0 110.925 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.412 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -51.85 -31.69 28.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.077 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.637 ' HB1' ' N ' ' A' ' 60' ' ' PHE . . . -70.89 -44.53 66.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.099 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.861 -179.869 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.914 0.388 . . . . 0.0 111.131 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.1 m -92.97 -47.76 6.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.0 tttp -154.73 158.31 39.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -162.66 132.73 4.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.098 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -171.32 163.02 35.79 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.525 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.579 ' CE3' ' HE2' ' A' ' 30' ' ' LYS . 97.4 m95 -75.62 109.5 9.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.785 0.326 . . . . 0.0 110.899 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.546 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 33.6 mt -118.82 140.05 50.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -89.92 120.35 31.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.2 tttm -98.47 130.23 45.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -70.01 137.47 51.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.053 179.907 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.798 0.332 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 61.6 m95 -110.87 124.72 52.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.923 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -106.99 122.52 46.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.579 ' HE2' ' CE3' ' A' ' 16' ' ' TRP . 79.4 tttt -70.1 129.24 38.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -145.94 152.19 39.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.409 ' CD1' ' HA ' ' A' ' 46' ' ' GLU . 56.3 t-105 -78.98 115.18 18.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.937 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.546 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 41.2 m-85 -107.06 136.76 46.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 93.4 t -135.2 112.29 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.461 HD12 ' H ' ' A' ' 36' ' ' VAL . 32.6 tp -73.76 148.78 42.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.882 HG12 ' O ' ' A' ' 39' ' ' CYS . 8.9 p -131.62 174.01 13.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.137 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.732 ' H ' HG22 ' A' ' 36' ' ' VAL . 4.2 t0 -28.02 -73.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -132.48 52.25 2.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.882 ' O ' HG12 ' A' ' 36' ' ' VAL . 1.7 t -175.74 170.67 2.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.8 tp -135.31 129.82 34.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.53 ' CE2' ' HB2' ' A' ' 54' ' ' SER . 86.8 m-85 -121.35 148.71 44.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.572 ' CE1' ' HB2' ' A' ' 52' ' ' LEU . 50.6 p90 -129.36 148.15 51.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.574 ' CE2' HG12 ' A' ' 51' ' ' ILE . 0.4 OUTLIER -132.97 158.91 41.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.952 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.417 ' HG2' HD11 ' A' ' 52' ' ' LEU . 3.8 mmmp? -45.13 -46.48 11.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.8 p-10 -151.56 171.17 18.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.409 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 11.3 pt-20 -45.35 -35.94 3.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -42.58 -36.1 1.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.514 ' HG2' ' CG ' ' A' ' 43' ' ' TYR . 22.5 mt-10 58.34 39.13 25.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -53.44 -47.63 69.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.4 m -152.22 160.93 43.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.574 HG12 ' CE2' ' A' ' 43' ' ' TYR . 72.5 mt -93.94 128.78 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.131 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.572 ' HB2' ' CE1' ' A' ' 42' ' ' TYR . 11.4 mt -88.9 -48.19 7.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.458 ' O ' ' CE2' ' A' ' 42' ' ' TYR . . . -160.43 151.18 21.68 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.53 ' HB2' ' CE2' ' A' ' 41' ' ' PHE . 26.0 t -110.27 148.88 31.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.867 0.365 . . . . 0.0 110.821 -179.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.679 HG23 ' CZ ' ' A' ' 87' ' ' TYR . 29.9 mt -118.1 117.68 34.98 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.643 0.735 . . . . 0.0 111.095 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.585 ' O ' ' CE2' ' A' ' 60' ' ' PHE . 54.2 Cg_endo -69.75 134.19 27.42 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.686 2.258 . . . . 0.0 112.357 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.405 ' O ' ' CD1' ' A' ' 60' ' ' PHE . 48.1 mt -113.8 -29.48 7.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 57' ' ' LEU . 17.9 tp -37.17 104.04 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.1 t 74.69 54.81 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.781 ' H ' ' HB1' ' A' ' 108' ' ' ALA . 5.0 m-85 -122.36 145.05 48.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.833 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -95.66 96.56 9.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 44.9 t -98.82 126.87 51.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.14 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -175.33 155.46 1.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.26 137.04 2.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.494 HG13 ' CA ' ' A' ' 77' ' ' PHE . 33.9 m -59.8 -175.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -134.72 161.0 66.33 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.553 0.692 . . . . 0.0 110.94 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 0.71 5.24 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.676 2.251 . . . . 0.0 112.365 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.858 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.832 0.349 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.4 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 2.5 m-70 59.55 45.97 12.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.518 HG23 ' O ' ' A' ' 89' ' ' PHE . 18.2 m -121.68 144.15 48.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.174 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.575 ' CZ ' ' HB2' ' A' ' 89' ' ' PHE . 19.7 p90 -132.56 159.76 38.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -117.11 147.45 42.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -133.42 105.44 6.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.145 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -142.7 132.25 23.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 27.7 ttm180 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.917 0.389 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.7 m -110.19 105.77 14.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.679 ' CZ ' HG23 ' A' ' 55' ' ' ILE . 72.3 m-85 -84.53 124.5 31.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.92 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -103.53 130.27 50.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.575 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . 55.0 m-85 -135.46 134.32 39.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.895 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 41.5 t -116.96 110.61 18.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.14 136.61 42.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.086 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -53.67 -41.41 66.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.1 m -121.57 157.07 57.6 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.706 0.765 . . . . 0.0 110.834 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.4 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 53.7 Cg_endo -69.77 -18.86 36.72 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.654 2.236 . . . . 0.0 112.319 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -72.45 -37.17 68.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 97' ' ' GLN . 12.6 mm-40 -77.67 -47.95 17.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.874 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 96' ' ' GLU . 14.7 tt0 -34.83 -54.15 0.56 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -66.47 -46.95 74.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -47.83 -46.94 31.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 0.442 ' O ' ' N ' ' A' ' 102' ' ' GLN . 77.9 m95 -65.65 -61.38 2.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.924 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.413 ' C ' ' O ' ' A' ' 100' ' ' TRP . 96.6 mt -36.29 -32.89 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 100' ' ' TRP . 22.3 mt-30 -91.6 -47.28 7.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.94 -53.79 52.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 6.9 ptm -81.31 -31.94 33.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.849 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -64.57 -39.24 96.64 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.478 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.455 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 6.3 pt-20 -63.43 -45.05 92.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.842 0.353 . . . . 0.0 110.85 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.455 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -56.23 -32.17 64.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.066 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.781 ' HB1' ' H ' ' A' ' 60' ' ' PHE . . . -63.84 -46.03 86.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.073 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 -179.913 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.3 p . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.898 0.38 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.1 m -96.55 -45.98 6.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.14 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.0 tttp -155.68 150.84 26.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -155.64 134.76 12.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.082 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.516 ' HA2' ' CZ3' ' A' ' 32' ' ' TRP . . . -171.6 161.03 33.2 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.473 ' CE3' ' HE2' ' A' ' 30' ' ' LYS . 90.2 m95 -73.04 106.62 4.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.799 0.333 . . . . 0.0 110.928 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.579 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 18.4 mt -116.97 140.28 49.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.401 ' CE2' ' HB2' ' A' ' 30' ' ' LYS . 4.0 m-85 -87.13 117.79 26.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.1 tttm -97.98 116.98 31.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -60.11 128.17 35.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 179.92 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.833 0.349 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 37.9 m95 -94.87 137.76 33.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -122.03 102.41 8.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.473 ' HE2' ' CE3' ' A' ' 16' ' ' TRP . 61.3 tttt -45.0 127.95 6.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.3 tpp180 -145.79 147.95 32.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.516 ' CZ3' ' HA2' ' A' ' 15' ' ' GLY . 60.4 t-105 -78.51 120.54 23.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.579 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 30.0 m-85 -110.33 147.02 34.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 60.5 t -145.42 106.96 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.163 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.704 HD12 ' O ' ' A' ' 39' ' ' CYS . 16.4 tp -66.03 132.93 49.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.741 HG22 ' H ' ' A' ' 37' ' ' ASP . 1.5 p -124.78 -179.96 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.741 ' H ' HG22 ' A' ' 36' ' ' VAL . 0.8 OUTLIER -48.74 112.5 0.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.926 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.564 ' HA ' ' HB1' ' A' ' 107' ' ' ALA . 40.4 mtt85 39.13 41.02 0.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.704 ' O ' HD12 ' A' ' 35' ' ' LEU . 1.8 m -164.8 175.38 9.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 31.0 tp -149.01 128.06 12.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -118.41 162.87 17.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 18.8 p90 -145.33 147.08 31.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.49 ' CD1' ' N ' ' A' ' 43' ' ' TYR . 0.6 OUTLIER -135.13 163.07 30.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.924 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.6 mtmm -57.11 -36.87 71.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.427 ' HA ' ' CH2' ' A' ' 16' ' ' TRP . 20.6 t70 -155.2 170.31 22.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.863 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -47.65 -30.38 3.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.435 ' C ' ' HG2' ' A' ' 48' ' ' GLU . 33.1 mttm -49.97 -33.52 17.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.924 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.435 ' HG2' ' C ' ' A' ' 47' ' ' LYS . 12.1 pt-20 38.78 53.03 1.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -58.97 -56.15 25.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 30.0 t -144.68 120.15 10.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.854 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.4 HG12 ' CE2' ' A' ' 43' ' ' TYR . 69.2 mt -45.05 143.23 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.134 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.9 mt -110.71 -41.86 4.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -145.15 145.64 15.13 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.5 p -113.42 131.65 55.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.902 0.382 . . . . 0.0 110.863 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 69.4 mt -113.25 104.98 55.68 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.646 0.736 . . . . 0.0 111.164 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.402 ' O ' ' CZ ' ' A' ' 60' ' ' PHE . 53.8 Cg_endo -69.8 136.38 32.73 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.683 2.255 . . . . 0.0 112.344 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 26.4 mt -116.47 -16.32 10.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.413 ' CD1' ' HD3' ' A' ' 38' ' ' ARG . 11.0 tp -48.44 105.76 0.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.6 t 74.38 51.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.831 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.582 ' CE2' ' HB2' ' A' ' 81' ' ' HIS . 5.8 m-85 -118.35 -179.54 3.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -134.46 96.73 3.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 47.0 t -97.67 127.95 49.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 64' ' ' ALA . . . -173.18 149.47 1.81 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 63' ' ' ALA . . . -34.69 147.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.078 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.2 m -54.42 173.73 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.096 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -102.13 161.55 23.04 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.579 0.704 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -21.09 34.04 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.718 2.279 . . . . 0.0 112.312 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.855 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.4 mtmm . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.812 0.339 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.436 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 4.1 m-70 68.24 41.5 1.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.879 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 64.8 m -108.85 142.54 39.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.552 ' CZ ' ' HB2' ' A' ' 89' ' ' PHE . 1.9 p90 -130.34 156.9 43.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.842 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.6 pttt -122.31 153.46 38.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -132.87 120.48 21.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.072 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.418 ' HG2' ' N ' ' A' ' 81' ' ' HIS . 42.7 tt0 -116.69 159.09 22.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.582 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . 13.6 t-160 . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.839 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.853 0.359 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.9 m -105.48 100.4 9.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.144 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -81.95 150.0 27.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -128.72 123.45 33.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.552 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . 43.1 m-85 -122.46 129.21 51.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 13.2 t -107.08 126.51 52.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -102.33 130.54 49.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.128 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -53.4 -44.52 68.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.0 m -112.22 156.92 41.29 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.65 0.738 . . . . 0.0 110.862 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.436 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 54.7 Cg_endo -69.72 -33.66 16.31 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.671 2.247 . . . . 0.0 112.374 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -59.64 -38.66 81.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 97' ' ' GLN . 5.7 mt-10 -69.36 -57.41 5.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 96' ' ' GLU . 11.8 tt0 -35.88 -64.35 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -53.87 -60.23 3.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -39.31 -53.89 1.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.079 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 0.453 ' O ' ' N ' ' A' ' 102' ' ' GLN . 61.4 m95 -57.1 -59.87 4.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.422 ' C ' ' O ' ' A' ' 100' ' ' TRP . 96.6 mt -36.06 -32.53 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.08 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 100' ' ' TRP . 6.5 mm100 -91.01 -61.31 1.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 102' ' ' GLN . . . -37.36 -53.3 1.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.097 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.465 ' HG3' ' N ' ' A' ' 105' ' ' GLY . 18.1 ptp -85.03 -37.22 20.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.465 ' N ' ' HG3' ' A' ' 104' ' ' MET . . . -51.4 -55.87 17.67 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.484 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.452 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 5.3 pt-20 -45.52 -46.01 13.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.86 0.362 . . . . 0.0 110.918 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.564 ' HB1' ' HA ' ' A' ' 38' ' ' ARG . . . -53.25 -31.18 42.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.119 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.549 ' HB1' ' H ' ' A' ' 60' ' ' PHE . . . -91.85 -34.33 14.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.979 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.496 HG23 ' CG1' ' A' ' 34' ' ' VAL . 9.9 p . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.942 0.401 . . . . 0.0 111.092 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.5 m -99.57 -45.74 5.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.158 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.521 ' HE2' ' CE2' ' A' ' 100' ' ' TRP . 44.8 tttt -155.02 143.12 20.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.434 ' HB1' ' CZ2' ' A' ' 32' ' ' TRP . . . -145.26 137.54 25.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.141 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -175.07 163.35 33.46 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.469 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.407 ' CH2' ' HA ' ' A' ' 45' ' ' ASP . 92.2 m95 -81.72 116.99 21.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.813 0.339 . . . . 0.0 110.919 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.543 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 29.4 mt -124.63 172.87 8.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.573 ' CZ ' ' HD3' ' A' ' 30' ' ' LYS . 9.7 m-85 -115.71 117.49 30.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.8 tttm -97.21 127.04 42.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -62.81 145.82 54.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.084 179.955 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.757 0.313 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 70.4 m95 -129.83 120.21 24.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -103.1 118.93 37.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.867 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.573 ' HD3' ' CZ ' ' A' ' 18' ' ' PHE . 5.7 ttpm? -79.42 126.77 31.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.487 ' NE ' ' HA ' ' A' ' 44' ' ' LYS . 20.0 mmt-85 -138.03 164.84 28.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.434 ' CZ2' ' HB1' ' A' ' 14' ' ' ALA . 67.1 t-105 -82.45 112.62 19.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.543 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 46.5 m-85 -99.95 138.39 37.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.496 ' CG1' HG23 ' A' ' 11' ' ' VAL . 44.8 t -134.87 96.2 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.552 HD12 ' O ' ' A' ' 39' ' ' CYS . 11.9 tp -64.81 112.92 3.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.684 HG22 ' H ' ' A' ' 37' ' ' ASP . 0.9 OUTLIER -101.13 -178.48 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 179.832 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.684 ' H ' HG22 ' A' ' 36' ' ' VAL . 18.3 m-20 -50.51 111.25 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.432 ' HA ' ' HB1' ' A' ' 107' ' ' ALA . 24.8 mtt85 43.59 40.08 2.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.866 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.552 ' O ' HD12 ' A' ' 35' ' ' LEU . 1.6 m -166.05 167.13 16.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 41.2 tp -142.9 129.01 19.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.484 ' CE1' ' HB2' ' A' ' 54' ' ' SER . 96.8 m-85 -127.01 147.98 50.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.576 ' CE2' ' HB2' ' A' ' 52' ' ' LEU . 22.0 p90 -121.8 166.53 14.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.56 ' CE2' HG12 ' A' ' 51' ' ' ILE . 0.5 OUTLIER -149.94 162.42 40.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.91 -179.905 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.487 ' HA ' ' NE ' ' A' ' 31' ' ' ARG . 63.1 mttt -51.53 -31.77 25.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.893 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.407 ' HA ' ' CH2' ' A' ' 16' ' ' TRP . 0.6 OUTLIER -171.58 169.53 6.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.931 179.859 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.419 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 2.0 pp20? -41.58 -28.51 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.875 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -42.04 -41.72 2.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.551 ' HG2' ' CE2' ' A' ' 43' ' ' TYR . 3.9 tt0 52.56 53.32 12.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -87.78 -27.56 22.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 47.5 t -162.86 144.59 10.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.56 HG12 ' CE2' ' A' ' 43' ' ' TYR . 41.7 mt -90.64 130.57 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.112 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.701 HD22 ' N ' ' A' ' 52' ' ' LEU . 1.1 mm? -86.13 -39.36 16.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.936 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -151.8 162.69 29.79 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.475 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.484 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 30.8 p -116.59 142.27 47.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.813 0.339 . . . . 0.0 110.829 -179.687 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.407 ' HA ' ' HD2' ' A' ' 56' ' ' PRO . 47.4 mt -123.37 104.99 34.04 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.646 0.736 . . . . 0.0 111.117 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 55' ' ' ILE . 53.6 Cg_endo -69.76 135.26 30.01 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.689 2.259 . . . . 0.0 112.35 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 41.7 mt -129.55 55.6 1.76 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.6 tp -77.75 -68.99 0.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 95.1 p -126.01 26.26 6.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.573 ' CZ ' ' HB2' ' A' ' 81' ' ' HIS . 6.7 m-85 -60.7 175.89 0.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.916 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 34.7 ttt180 -127.84 95.77 4.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.724 HG11 ' SD ' ' A' ' 104' ' ' MET . 3.8 t -96.92 128.36 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.085 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -168.66 179.79 4.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.149 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.14 144.61 54.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 12.1 m -70.33 -177.2 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.118 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.496 ' HA ' ' NE2' ' A' ' 66' ' ' GLN . 2.4 mm-40 -129.91 164.98 36.72 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.532 0.682 . . . . 0.0 110.952 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.431 ' HD2' ' OE1' ' A' ' 66' ' ' GLN . 54.1 Cg_endo -69.73 -13.1 34.27 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.72 2.28 . . . . 0.0 112.39 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.5 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.883 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.769 0.318 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.508 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 0.9 OUTLIER 59.65 36.46 22.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.819 179.893 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.679 HG23 ' O ' ' A' ' 89' ' ' PHE . 25.4 m -116.63 140.57 49.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.129 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.476 ' CE2' ' HB2' ' A' ' 89' ' ' PHE . 6.5 p90 -130.75 158.15 40.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.575 ' HB3' ' CE1' ' A' ' 88' ' ' PHE . 30.3 pttt -121.34 155.93 33.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -129.08 118.11 21.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.401 ' HB2' HG23 ' A' ' 86' ' ' THR . 7.6 tt0 -119.8 144.08 47.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.573 ' HB2' ' CZ ' ' A' ' 60' ' ' PHE . 9.5 t-80 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.912 0.387 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.401 HG23 ' HB2' ' A' ' 80' ' ' GLU . 1.9 m -116.55 101.06 8.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.173 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -84.34 166.54 17.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.575 ' CE1' ' HB3' ' A' ' 78' ' ' LYS . 60.9 m-85 -145.07 141.68 29.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.859 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.679 ' O ' HG23 ' A' ' 76' ' ' THR . 49.2 m-85 -140.1 137.81 34.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.7 t -120.3 130.16 54.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.843 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -101.63 143.16 31.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.086 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -71.96 -18.54 61.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 45.1 m -131.35 150.81 77.49 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.67 0.748 . . . . 0.0 110.842 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.508 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 53.3 Cg_endo -69.85 -30.19 22.27 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.7 2.266 . . . . 0.0 112.306 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -70.99 -26.97 63.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -78.35 -46.79 19.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.43 ' CD ' ' HA ' ' A' ' 75' ' ' HIS . 11.2 tt0 -45.37 -66.75 0.36 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 99' ' ' ALA . 22.9 mm-40 -50.94 -60.94 2.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.429 ' HB1' ' NZ ' ' A' ' 13' ' ' LYS . . . -38.07 -42.98 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 0.521 ' CE2' ' HE2' ' A' ' 13' ' ' LYS . 42.2 m95 -70.61 -55.56 8.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.424 HD11 ' HB3' ' A' ' 77' ' ' PHE . 72.1 mt -43.77 -29.13 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.125 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -90.63 -55.12 3.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -49.48 -53.12 24.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.098 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.724 ' SD ' HG11 ' A' ' 62' ' ' VAL . 3.9 ptm -80.75 -35.55 33.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.428 ' N ' ' HG2' ' A' ' 104' ' ' MET . . . -52.31 -53.03 33.39 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.46 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.488 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 8.8 pt-20 -50.96 -49.49 59.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.909 0.385 . . . . 0.0 110.9 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.488 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -47.25 -25.98 1.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.098 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -86.99 -35.07 19.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.082 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.886 -179.898 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 97.1 t . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.915 0.388 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 71.8 m -91.18 -44.03 9.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.527 ' HE2' ' CE2' ' A' ' 100' ' ' TRP . 31.5 tttt -157.88 154.26 27.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -160.2 135.24 7.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.112 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.436 ' HA2' ' CZ3' ' A' ' 32' ' ' TRP . . . -176.16 166.26 37.26 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.463 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.58 ' CE3' ' HE2' ' A' ' 30' ' ' LYS . 93.1 m95 -78.65 118.38 20.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.791 0.329 . . . . 0.0 110.923 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.2 mt -127.29 161.77 27.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -104.69 119.93 40.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.4 tttt -103.02 128.46 49.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -57.37 144.83 34.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.112 179.918 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.802 0.334 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 40.7 m95 -87.44 134.07 33.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -117.16 147.13 42.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.926 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.58 ' HE2' ' CE3' ' A' ' 16' ' ' TRP . 25.3 tttt -89.89 133.66 34.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.4 ' NE ' ' HA ' ' A' ' 44' ' ' LYS . 1.6 tpm_? -150.74 154.09 36.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.436 ' CZ3' ' HA2' ' A' ' 15' ' ' GLY . 52.7 t-105 -79.31 115.47 18.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.951 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -107.98 132.37 53.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.841 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 62.4 t -130.94 111.71 20.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.109 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.515 HD12 ' O ' ' A' ' 39' ' ' CYS . 22.2 tp -76.85 143.63 39.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.878 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.72 HG22 ' H ' ' A' ' 37' ' ' ASP . 5.4 p -126.88 174.85 9.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.121 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.72 ' H ' HG22 ' A' ' 36' ' ' VAL . 1.0 OUTLIER -29.25 -75.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.919 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.405 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 6.3 mtm180 -128.18 50.77 2.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.619 ' C ' HG12 ' A' ' 36' ' ' VAL . 1.5 m -170.78 178.78 3.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 50.1 tp -147.42 112.54 5.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.598 ' HE1' HG11 ' A' ' 36' ' ' VAL . 51.6 m-85 -107.49 145.69 32.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.437 ' CE1' ' HB2' ' A' ' 52' ' ' LEU . 53.1 p90 -129.59 155.15 46.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.529 ' CD1' ' N ' ' A' ' 43' ' ' TYR . 0.3 OUTLIER -139.79 156.46 46.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.891 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.4 ' HA ' ' NE ' ' A' ' 31' ' ' ARG . 4.5 mtpm? -47.31 -45.91 24.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -145.15 178.06 8.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -48.79 -37.89 20.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.854 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -39.01 -36.42 0.28 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.471 ' HA ' ' CG ' ' A' ' 43' ' ' TYR . 10.6 pt-20 34.41 46.73 0.18 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -75.83 -41.49 52.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.5 p -128.92 122.45 30.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.469 HG12 ' CE2' ' A' ' 43' ' ' TYR . 72.3 mt -67.09 131.51 32.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.181 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.437 ' HB2' ' CE1' ' A' ' 42' ' ' TYR . 70.2 mt -88.97 -44.15 10.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -160.22 151.62 22.26 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.511 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 59.4 p -116.51 137.21 52.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.864 0.364 . . . . 0.0 110.849 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.414 ' HA ' ' HD2' ' A' ' 56' ' ' PRO . 19.0 mt -114.29 108.53 50.02 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.605 0.717 . . . . 0.0 111.129 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.509 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 53.7 Cg_endo -69.74 96.79 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.715 2.277 . . . . 0.0 112.321 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.629 HD23 ' CG ' ' A' ' 60' ' ' PHE . 58.5 mt -84.76 50.72 1.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.2 tp -68.3 -60.69 2.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 73.3 m -132.32 42.78 3.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.812 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.668 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 3.5 m-85 -68.4 144.0 54.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.477 ' O ' ' C ' ' A' ' 62' ' ' VAL . 3.4 ptm85 -84.31 25.04 0.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.87 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.477 ' C ' ' O ' ' A' ' 61' ' ' ARG . 24.0 t -31.46 113.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.178 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -176.24 153.15 1.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -39.79 137.48 0.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.124 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 25.9 m -55.43 152.41 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -80.23 161.4 65.35 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.608 0.718 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 -6.58 18.94 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.702 2.268 . . . . 0.0 112.352 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 57.6 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 -179.854 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 75' ' ' HIS . 23.5 mtpp . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.783 0.325 . . . . 0.0 110.907 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.563 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 2.2 m-70 38.1 42.87 0.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.847 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 89' ' ' PHE . 57.0 m -109.19 139.49 44.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.508 ' CD1' ' N ' ' A' ' 77' ' ' PHE . 1.0 OUTLIER -126.97 159.59 33.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 29.4 pttt -122.46 142.77 50.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.944 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.668 ' HB1' ' HD2' ' A' ' 60' ' ' PHE . . . -131.87 110.68 10.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.115 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.459 ' CB ' ' HA ' ' A' ' 86' ' ' THR . 2.2 pt-20 -137.02 141.04 42.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.476 ' HB2' ' CE1' ' A' ' 60' ' ' PHE . 25.1 t-80 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.482 ' HG2' ' N ' ' A' ' 86' ' ' THR . 39.6 ttt180 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.914 0.388 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.482 ' N ' ' HG2' ' A' ' 85' ' ' ARG . 4.4 m -104.54 139.29 39.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -127.44 145.36 50.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -122.73 121.38 36.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.846 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.515 ' O ' HG23 ' A' ' 76' ' ' THR . 64.4 m-85 -120.42 135.01 55.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.1 t -111.99 141.53 45.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.817 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -118.06 124.66 48.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.151 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -49.32 -41.11 37.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 65.3 m -114.74 153.6 46.86 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.705 0.764 . . . . 0.0 110.828 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.563 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 54.2 Cg_endo -69.72 -18.6 37.09 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.662 2.242 . . . . 0.0 112.362 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -74.37 -41.56 60.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -66.93 -41.72 86.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.434 ' CD ' ' HA ' ' A' ' 75' ' ' HIS . 14.2 tt0 -51.31 -58.68 5.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.43 ' HA ' HD12 ' A' ' 101' ' ' ILE . 31.4 mm-40 -61.08 -51.54 68.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -46.57 -49.76 18.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.05 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 0.527 ' CE2' ' HE2' ' A' ' 13' ' ' LYS . 47.2 m95 -62.66 -56.85 13.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . 0.43 HD12 ' HA ' ' A' ' 98' ' ' GLU . 61.2 mt -42.19 -32.46 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.133 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -90.01 -42.14 11.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.939 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.401 ' CB ' ' HD3' ' A' ' 13' ' ' LYS . . . -55.98 -64.55 0.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.535 ' HB2' HD13 ' A' ' 57' ' ' LEU . 11.4 ptp -75.32 -30.25 60.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -54.55 -53.35 39.24 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.433 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 4.2 pt-20 -49.02 -44.68 41.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.843 0.354 . . . . 0.0 110.886 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.433 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -54.38 -27.62 37.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.123 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -81.28 -40.54 23.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.074 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 13.1 mtp180 . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.872 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.7 p . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.901 0.381 . . . . 0.0 111.145 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.8 m -96.09 -50.62 4.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 43.4 tttp -151.95 144.2 23.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.563 ' HB2' HG13 ' A' ' 34' ' ' VAL . . . -149.83 127.91 11.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.125 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.434 ' HA2' ' CZ3' ' A' ' 32' ' ' TRP . . . -167.52 162.51 36.3 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.453 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -73.64 110.63 8.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.839 0.352 . . . . 0.0 110.95 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.417 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 12.6 mt -117.78 160.74 20.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.509 ' CZ ' ' HD2' ' A' ' 30' ' ' LYS . 17.6 m-85 -105.81 114.36 28.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.1 tttm -91.63 115.45 28.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -48.15 154.12 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.056 179.952 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 28.8 pt20 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.775 0.322 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 36.7 m95 -104.83 144.73 31.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -116.0 118.51 33.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.509 ' HD2' ' CZ ' ' A' ' 18' ' ' PHE . 63.8 tttt -65.19 142.09 58.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -164.78 145.37 7.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.434 ' CZ3' ' HA2' ' A' ' 15' ' ' GLY . 64.6 t-105 -71.09 117.96 13.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.417 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 28.5 m-85 -109.42 137.97 46.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.563 HG13 ' HB2' ' A' ' 14' ' ' ALA . 44.4 t -137.46 107.5 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.413 HD12 ' O ' ' A' ' 39' ' ' CYS . 5.7 tp -75.92 137.8 40.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.752 HG22 ' H ' ' A' ' 37' ' ' ASP . 1.1 p -116.39 -175.49 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.153 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.752 ' H ' HG22 ' A' ' 36' ' ' VAL . 4.3 m-20 -35.77 -73.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -129.01 53.63 1.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.413 ' O ' HD12 ' A' ' 35' ' ' LEU . 1.6 t -175.22 177.92 1.8 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 29.2 tp -144.24 122.51 12.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.949 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.41 ' CE1' ' HB3' ' A' ' 54' ' ' SER . 88.3 m-85 -114.3 147.24 39.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 43.2 p90 -129.85 144.41 51.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.516 ' CE2' HG12 ' A' ' 51' ' ' ILE . 1.3 m-85 -131.69 156.71 45.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.658 ' HG3' HD11 ' A' ' 52' ' ' LEU . 34.2 mtpt -50.08 -36.9 31.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.5 ' OD1' ' N ' ' A' ' 45' ' ' ASP . 2.0 p30 -152.41 -176.97 5.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 47' ' ' LYS . 5.4 pt-20 -62.06 -35.2 77.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.4 ' N ' ' HG3' ' A' ' 46' ' ' GLU . 26.5 mtpt -43.58 -39.11 3.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.404 ' HG2' ' CD1' ' A' ' 43' ' ' TYR . 14.2 mt-10 57.75 48.11 14.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -57.19 -51.59 68.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 21.2 t -148.53 145.94 28.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.516 HG12 ' CE2' ' A' ' 43' ' ' TYR . 77.4 mt -77.1 126.4 37.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.123 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.658 HD11 ' HG3' ' A' ' 44' ' ' LYS . 44.2 mt -90.7 -47.82 7.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -150.56 153.15 24.86 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.461 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.41 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 74.1 p -127.53 128.16 45.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.802 0.334 . . . . 0.0 110.876 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 22.4 mt -98.07 117.81 64.51 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.593 0.711 . . . . 0.0 111.166 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 119.73 6.63 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.692 2.261 . . . . 0.0 112.308 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 83.3 mt -116.88 57.28 0.79 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.4 tp -77.46 -69.63 0.52 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 t -126.42 31.32 5.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.648 ' CE1' ' ND1' ' A' ' 81' ' ' HIS . 6.3 m-85 -66.14 177.18 1.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.929 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 80' ' ' GLU . 65.8 ttt180 -127.55 103.75 7.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 25.5 t -100.43 129.86 50.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -173.58 163.16 4.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.099 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -53.27 125.8 18.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.109 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 20.3 m -46.54 156.7 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.142 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.459 ' CD ' ' HD2' ' A' ' 67' ' ' PRO . 2.3 mm100 -83.29 161.67 56.43 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.626 0.727 . . . . 0.0 110.883 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.459 ' HD2' ' CD ' ' A' ' 66' ' ' GLN . 54.2 Cg_endo -69.72 -7.7 21.71 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.667 2.245 . . . . 0.0 112.386 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 74.2 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.881 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.0 mttm . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.831 0.348 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.55 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 2.0 m-70 41.75 47.7 3.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.846 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.522 HG23 ' O ' ' A' ' 89' ' ' PHE . 21.0 m -124.28 142.35 51.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.169 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.512 ' CD1' ' N ' ' A' ' 77' ' ' PHE . 0.7 OUTLIER -130.31 159.14 37.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 36.9 pttt -126.07 150.09 48.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -115.44 103.3 10.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.478 ' O ' ' N ' ' A' ' 61' ' ' ARG . 0.0 OUTLIER -107.93 140.07 41.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.648 ' ND1' ' CE1' ' A' ' 60' ' ' PHE . 9.3 t-160 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.491 ' HD2' ' CZ ' ' A' ' 87' ' ' TYR . 10.3 ptp180 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.907 0.384 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.467 ' N ' ' HG3' ' A' ' 85' ' ' ARG . 95.5 m -135.75 123.07 21.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.491 ' CZ ' ' HD2' ' A' ' 85' ' ' ARG . 74.0 m-85 -94.43 171.72 8.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.459 ' CD1' ' O ' ' A' ' 87' ' ' TYR . 30.2 m-85 -147.33 136.44 22.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.834 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.522 ' O ' HG23 ' A' ' 76' ' ' THR . 24.5 m-85 -137.81 137.51 38.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . 0.455 ' HA ' HG23 ' A' ' 76' ' ' THR . 12.0 t -111.92 139.58 47.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.83 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -110.57 126.51 54.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.135 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -53.06 -40.41 63.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 69.2 m -117.24 153.6 49.95 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.659 0.742 . . . . 0.0 110.846 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.55 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 54.0 Cg_endo -69.76 -23.83 30.37 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.656 2.237 . . . . 0.0 112.367 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -67.91 -34.93 77.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 97' ' ' GLN . 4.1 mm-40 -77.34 -49.03 15.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 96' ' ' GLU . 13.9 tt0 -36.08 -53.31 0.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -68.78 -46.65 68.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -46.8 -47.17 21.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.103 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 69.2 m95 -68.61 -57.01 6.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 71.5 mt -41.04 -31.03 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.094 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -91.19 -39.28 12.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.87 -62.96 1.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.444 ' HG3' ' N ' ' A' ' 105' ' ' GLY . 6.6 ptp -72.01 -30.02 64.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.444 ' N ' ' HG3' ' A' ' 104' ' ' MET . . . -63.88 -51.41 53.77 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.487 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.416 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 6.0 pt-20 -51.55 -43.53 62.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.855 0.359 . . . . 0.0 110.898 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.416 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -53.81 -32.25 51.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.125 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -82.88 -37.5 24.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.079 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 28.9 mtt85 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.921 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 86.4 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.936 0.398 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 96.7 m -87.66 -54.62 4.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.132 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' ' 35' ' ' LEU . 15.5 tttm -154.7 146.47 23.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -152.24 127.5 9.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.063 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.501 ' HA2' ' CZ3' ' A' ' 32' ' ' TRP . . . -162.42 165.93 36.32 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.446 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.483 ' CD1' ' CZ3' ' A' ' 32' ' ' TRP . 88.7 m95 -78.19 112.03 14.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.776 0.322 . . . . 0.0 110.93 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.42 HD11 ' CE2' ' A' ' 100' ' ' TRP . 31.8 mt -124.94 155.51 39.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.461 ' CE2' ' HB2' ' A' ' 30' ' ' LYS . 4.4 m-85 -101.14 131.54 47.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.3 tttm -107.37 119.72 40.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -60.37 111.82 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.055 179.957 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 . . . . . 0 N--CA 1.457 -0.095 0 CA-C-O 120.787 0.327 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 77.9 m95 -121.77 129.92 53.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -105.85 122.75 46.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.487 ' O ' ' NE ' ' A' ' 31' ' ' ARG . 51.4 tttt -81.87 115.0 20.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.937 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.487 ' NE ' ' O ' ' A' ' 30' ' ' LYS . 7.1 mmp_? -128.69 -176.57 3.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.834 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.501 ' CZ3' ' HA2' ' A' ' 15' ' ' GLY . 72.2 t-105 -111.06 113.81 26.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -100.44 138.05 38.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 88.1 t -131.64 96.67 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.106 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.501 HD12 ' O ' ' A' ' 39' ' ' CYS . 21.5 tp -63.92 120.92 12.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.723 HG22 ' H ' ' A' ' 37' ' ' ASP . 0.9 OUTLIER -92.75 -173.51 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.878 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.723 ' H ' HG22 ' A' ' 36' ' ' VAL . 6.7 t70 -30.4 -63.33 0.14 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.6 mtm-85 -131.14 -31.56 1.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.637 ' O ' HG12 ' A' ' 36' ' ' VAL . 61.6 m -85.73 175.51 8.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 39.8 tp -133.44 143.21 48.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -136.26 168.27 19.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.637 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 47.7 p90 -141.48 165.29 27.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.637 ' CD1' ' C ' ' A' ' 42' ' ' TYR . 0.3 OUTLIER -151.24 154.53 36.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.933 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.441 ' O ' ' CG ' ' A' ' 45' ' ' ASP . 4.3 tppt? -48.93 -40.2 29.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.95 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.441 ' CG ' ' O ' ' A' ' 44' ' ' LYS . 1.1 m-20 -163.78 178.22 8.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 47' ' ' LYS . 11.0 mm-40 -44.57 -33.39 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 46' ' ' GLU . 28.5 mtmm -35.38 -43.63 0.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 46.47 30.99 1.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -65.76 -20.43 66.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.5 t -170.17 150.05 3.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.568 HG12 ' CE2' ' A' ' 43' ' ' TYR . 85.4 mt -87.92 121.27 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.165 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.8 mp -77.24 -30.98 54.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.493 ' O ' ' CG2' ' A' ' 51' ' ' ILE . . . -159.05 178.28 35.28 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.6 t -136.49 146.59 46.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.82 0.343 . . . . 0.0 110.82 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.431 ' HA ' ' HD2' ' A' ' 56' ' ' PRO . 19.3 mt -136.48 105.07 9.22 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.634 0.73 . . . . 0.0 111.139 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PRO . . . . . 0.596 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 53.6 Cg_endo -69.77 123.77 10.42 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.619 2.212 . . . . 0.0 112.365 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.3 mt -104.08 51.99 0.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 25.8 tp -108.13 109.26 20.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.593 ' O ' ' CD2' ' A' ' 81' ' ' HIS . 3.3 t 73.46 25.0 2.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.596 ' CE1' ' O ' ' A' ' 56' ' ' PRO . 8.3 m-85 -86.38 142.19 28.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -98.43 91.1 5.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.621 HG21 ' HG3' ' A' ' 104' ' ' MET . 13.8 t -94.86 123.76 47.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 64' ' ' ALA . . . -166.01 146.88 6.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 63' ' ' ALA . . . -35.75 131.38 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.115 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.5 m -54.42 162.96 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -101.55 159.75 28.53 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.587 0.708 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -10.38 28.44 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.705 2.27 . . . . 0.0 112.361 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 34.3 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.841 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.79 0.329 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.563 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 3.3 m-70 42.13 53.52 4.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.439 HG23 ' O ' ' A' ' 89' ' ' PHE . 43.2 m -124.71 147.06 48.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.574 ' CE2' ' HB2' ' A' ' 89' ' ' PHE . 3.5 p90 -132.31 153.8 50.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.593 ' HB3' ' CD2' ' A' ' 88' ' ' PHE . 32.4 pttt -121.68 142.14 50.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -122.11 103.99 9.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.091 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.716 ' HB2' HG23 ' A' ' 86' ' ' THR . 1.4 tm-20 -127.1 148.8 50.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' HIS . . . . . 0.593 ' CD2' ' O ' ' A' ' 59' ' ' SER . 12.2 t-160 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.836 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.492 ' HB3' ' CE1' ' A' ' 87' ' ' TYR . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.87 0.367 . . . . 0.0 110.883 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.716 HG23 ' HB2' ' A' ' 80' ' ' GLU . 62.3 m -106.12 104.88 14.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.153 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.492 ' CE1' ' HB3' ' A' ' 85' ' ' ARG . 1.8 m-85 -95.02 163.66 13.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.949 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.593 ' CD2' ' HB3' ' A' ' 78' ' ' LYS . 82.3 m-85 -139.11 154.41 48.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.574 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 55.1 m-85 -153.06 123.88 7.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 11.4 t -103.95 138.23 40.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -108.68 132.48 53.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.104 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -62.7 -33.92 76.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 38.5 m -116.68 148.69 42.49 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.67 0.747 . . . . 0.0 110.887 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' PRO . . . . . 0.563 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 53.7 Cg_endo -69.78 -22.62 31.74 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.711 2.274 . . . . 0.0 112.312 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -73.52 -24.66 60.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -82.71 -50.11 9.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLN . . . . . 0.415 ' CD ' ' HA ' ' A' ' 75' ' ' HIS . 18.8 tt0 -41.65 -63.43 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -55.75 -50.1 71.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -48.15 -42.24 28.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' TRP . . . . . 0.471 ' O ' ' N ' ' A' ' 102' ' ' GLN . 71.6 m95 -70.07 -61.52 1.75 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 98.5 mt -37.23 -29.57 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.111 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 100' ' ' TRP . 27.8 mt-30 -91.27 -48.71 6.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.69 -61.82 2.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.083 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.621 ' HG3' HG21 ' A' ' 62' ' ' VAL . 5.3 ptm -71.49 -32.18 67.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -61.06 -51.49 58.11 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.536 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.421 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 6.0 pt-20 -55.93 -43.57 77.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.846 0.355 . . . . 0.0 110.855 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.421 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -56.55 -31.72 64.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . 0.528 ' HB1' ' H ' ' A' ' 60' ' ' PHE . . . -79.63 -39.08 32.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.083 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.899 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.5 t -141.57 144.29 34.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.862 0.363 . . . . 0.0 110.849 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.3 m -111.03 177.23 4.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.833 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.29 116.91 0.74 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.502 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.6 t -100.05 121.6 41.64 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.887 0.375 . . . . 0.0 110.869 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 t -131.72 157.5 43.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.812 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -42.08 -89.38 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.478 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -88.91 137.83 31.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.845 0.355 . . . . 0.0 110.928 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -93.71 146.3 31.5 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.632 0.73 . . . . 0.0 111.043 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 161.6 45.29 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.69 2.26 . . . . 0.0 112.339 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 54.6 t -72.72 142.26 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.141 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.0 m -92.9 -51.43 5.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.158 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 35' ' ' LEU . 45.7 tttp -155.0 142.32 19.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -149.15 126.85 11.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -169.18 166.29 39.58 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.52 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.524 ' CE3' ' HD3' ' A' ' 30' ' ' LYS . 98.8 m95 -74.27 124.72 26.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.818 0.342 . . . . 0.0 110.903 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.567 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 28.5 mt -136.87 143.74 43.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.907 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.513 ' CZ ' ' HB2' ' A' ' 30' ' ' LYS . 4.7 m-85 -95.25 128.35 42.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.827 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.8 ttpm? -111.52 118.73 36.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.924 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -39.42 145.22 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.406 ' HB1' ' HA3' ' A' ' 24' ' ' GLY . . . -64.8 98.24 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.1 t -49.34 -44.09 44.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.9 t -134.03 45.08 2.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.406 ' HA3' ' HB1' ' A' ' 21' ' ' ALA . . . -121.55 -148.83 7.95 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.468 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.528 ' O ' HG23 ' A' ' 25' ' ' VAL . 18.8 m -109.58 74.05 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.867 0.365 . . . . 0.0 111.159 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 25' ' ' VAL . 0.7 OUTLIER 37.24 35.55 0.05 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -99.29 172.52 7.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 67.0 m95 -127.27 123.16 35.8 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 -113.01 142.23 45.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.524 ' HD3' ' CE3' ' A' ' 16' ' ' TRP . 0.6 OUTLIER -80.03 147.62 31.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.89 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -158.83 146.05 17.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.515 ' CD1' ' HA ' ' A' ' 46' ' ' GLU . 51.4 t-105 -78.83 121.1 24.38 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.567 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 72.8 m-85 -114.49 138.86 50.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 98.4 t -132.2 94.96 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.096 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 13' ' ' LYS . 33.3 tp -57.97 130.51 46.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.725 HG22 ' H ' ' A' ' 37' ' ' ASP . 0.9 OUTLIER -124.22 -175.07 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.132 179.866 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.725 ' H ' HG22 ' A' ' 36' ' ' VAL . 1.4 m-20 -60.47 116.49 4.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.88 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 46.1 mtt85 41.46 39.95 1.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.489 ' HB2' ' CG1' ' A' ' 36' ' ' VAL . 1.7 m -167.98 163.53 13.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.6 tp -140.43 117.41 11.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.949 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -106.39 168.33 9.23 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.523 ' CE1' ' HB2' ' A' ' 52' ' ' LEU . 13.0 p90 -155.62 149.75 25.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.942 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.564 ' CD1' ' N ' ' A' ' 43' ' ' TYR . 0.3 OUTLIER -132.98 166.79 21.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.946 -179.907 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.647 ' N ' HD11 ' A' ' 52' ' ' LEU . 23.4 tptt -54.48 -39.13 67.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.9 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.469 ' OD1' ' N ' ' A' ' 45' ' ' ASP . 13.9 p-10 -148.76 -179.9 7.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.515 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 2.8 pp20? -68.09 -13.96 62.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.904 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 2.9 mmpt? -56.11 -26.74 51.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 59.01 44.25 16.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.845 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -64.27 -69.17 0.3 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.0 m -142.42 136.06 29.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.854 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.433 HG12 ' CE2' ' A' ' 43' ' ' TYR . 94.1 mt -62.29 121.2 10.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.165 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.647 HD11 ' N ' ' A' ' 44' ' ' LYS . 6.1 mt -84.44 -51.11 7.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.923 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.425 ' CA ' ' CE2' ' A' ' 42' ' ' TYR . . . -147.39 155.19 26.39 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.487 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 22.9 t -121.25 154.9 35.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.819 0.343 . . . . 0.0 110.921 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 11.8 mt -132.6 117.66 15.42 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.589 0.709 . . . . 0.0 111.141 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 131.9 22.21 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.716 2.278 . . . . 0.0 112.358 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 61.5 mt -117.27 54.01 0.9 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 52.0 tp -109.73 115.8 30.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.0 m 60.93 25.37 15.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -80.0 164.18 23.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.864 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 58.7 ttm-85 -117.91 93.3 4.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.846 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.543 HG11 ' CG ' ' A' ' 104' ' ' MET . 22.1 t -98.29 127.92 50.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -173.74 164.58 4.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.69 138.08 8.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.097 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.518 HG21 HG21 ' A' ' 71' ' ' ILE . 5.3 m -58.38 172.52 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.16 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -115.9 159.09 40.5 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.632 0.73 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -10.81 29.47 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.703 2.269 . . . . 0.0 112.336 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 4.5 m -98.2 3.93 48.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -99.16 14.72 28.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.843 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 47.13 43.85 14.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.518 HG21 HG21 ' A' ' 65' ' ' VAL . 33.2 mm -102.04 102.93 14.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.121 179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 67.2 m -99.52 58.67 1.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.891 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 27.3 mtp85 -149.01 131.38 15.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.6 148.16 39.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.874 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.558 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 2.3 m-70 61.67 54.38 2.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.822 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.9 m -124.42 147.53 48.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.168 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.5 ' CD1' ' N ' ' A' ' 77' ' ' PHE . 1.1 p90 -137.9 159.27 42.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.532 ' HB3' ' CE1' ' A' ' 88' ' ' PHE . 30.6 pttt -125.56 146.17 49.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.865 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -132.0 110.82 11.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -136.66 151.23 49.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.879 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.489 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 13.9 t-160 -89.92 7.97 34.66 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 81' ' ' HIS . . . 71.26 40.85 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.092 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 157.62 -47.25 0.46 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.483 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.494 HG12 ' N ' ' A' ' 85' ' ' ARG . 22.2 t -60.03 -74.92 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.843 0.354 . . . . 0.0 111.113 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.494 ' N ' HG12 ' A' ' 84' ' ' VAL . 0.3 OUTLIER -154.89 156.38 36.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.869 -179.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 37.0 m -114.77 101.71 9.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -89.05 155.6 19.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.908 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.532 ' CE1' ' HB3' ' A' ' 78' ' ' LYS . 57.1 m-85 -137.08 140.51 42.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.911 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.477 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . 31.6 m-85 -141.21 136.15 31.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 30.4 t -117.88 117.59 29.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.883 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -85.1 132.33 34.33 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.092 -0.503 . . . . 0.0 111.101 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -60.1 -26.87 66.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.0 m -126.75 153.24 75.81 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.678 0.752 . . . . 0.0 110.837 -179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.558 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 53.8 Cg_endo -69.79 -38.23 8.01 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.645 2.23 . . . . 0.0 112.304 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -62.04 -26.52 68.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 97' ' ' GLN . 17.3 mt-10 -79.95 -56.8 4.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 96' ' ' GLU . 13.2 tt0 -35.43 -61.81 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -52.26 -56.77 12.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -43.01 -47.72 5.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.031 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.48 ' CE2' HD11 ' A' ' 17' ' ' LEU . 67.0 m95 -63.57 -61.14 2.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.942 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 75.8 mt -38.72 -35.52 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.124 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -86.33 -42.88 13.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.45 -63.76 1.19 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.092 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.543 ' CG ' HG11 ' A' ' 62' ' ' VAL . 13.6 ptp -72.69 -18.6 61.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.876 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -75.38 -47.53 12.49 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.471 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.535 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 5.3 pt-20 -56.81 -50.0 73.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.837 0.351 . . . . 0.0 110.86 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.535 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -54.41 -25.52 25.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.106 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -88.18 -33.66 18.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.081 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 16.4 ptt85 -83.43 155.09 23.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 61.4 t -132.81 111.9 17.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.098 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.2 163.8 26.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 92.4 p 41.83 47.2 3.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.81 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -125.39 156.74 19.32 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.523 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -179.62 3.06 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.7 2.267 . . . . 0.0 112.299 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.0 t 43.92 42.59 4.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 13.6 t -154.08 133.35 12.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.842 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.468 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.9 m -67.31 143.47 56.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.879 0.371 . . . . 0.0 110.865 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.1 m -122.68 42.09 3.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 -179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.71 177.04 20.01 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.2 p -122.23 166.97 13.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.913 0.387 . . . . 0.0 110.824 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.1 p -88.35 164.68 15.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.807 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.42 156.41 7.6 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.475 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -89.94 133.4 34.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.851 0.358 . . . . 0.0 110.886 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.53 ' HB1' ' HD2' ' A' ' 10' ' ' PRO . . . -125.54 158.67 63.84 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.609 0.719 . . . . 0.0 111.054 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.53 ' HD2' ' HB1' ' A' ' 9' ' ' ALA . 53.8 Cg_endo -69.78 162.6 41.47 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.625 2.216 . . . . 0.0 112.347 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 54.6 t -94.6 133.01 37.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 2.3 m -86.81 -53.3 5.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.13 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.407 ' HE3' ' NE1' ' A' ' 100' ' ' TRP . 48.2 tttp -152.6 147.72 26.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -151.07 132.75 14.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.09 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.411 ' HA2' ' CZ3' ' A' ' 32' ' ' TRP . . . -172.15 172.15 44.62 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.511 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 96.4 m95 -81.37 111.08 17.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.802 0.334 . . . . 0.0 110.915 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.57 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 22.4 mt -121.37 141.62 50.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.508 ' CE2' ' HB2' ' A' ' 30' ' ' LYS . 20.1 m-85 -88.74 116.27 26.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.911 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.5 tttm -92.4 123.33 35.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 -66.05 141.39 58.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -65.42 134.63 53.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.086 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.9 p -104.42 25.3 10.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.829 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.7 m -174.49 113.18 0.16 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.917 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 103.49 -162.67 15.71 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.482 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.524 HG22 ' H ' ' A' ' 26' ' ' LYS . 1.2 p -49.5 170.78 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 0.0 111.129 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.524 ' H ' HG22 ' A' ' 25' ' ' VAL . 1.1 mtmp? -86.81 82.17 7.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -120.17 163.1 18.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 27.7 m95 -124.66 142.77 51.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -117.96 104.02 10.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.9 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.508 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . 31.4 tttt -62.33 124.55 21.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.473 ' CD ' ' HA ' ' A' ' 44' ' ' LYS . 5.3 mmt85 -142.28 179.15 7.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.411 ' CZ3' ' HA2' ' A' ' 15' ' ' GLY . 74.5 t-105 -99.45 113.9 26.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.57 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 32.2 m-85 -100.44 139.83 35.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 61.6 t -133.2 96.49 2.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.129 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 30.9 tp -59.94 115.77 3.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.716 HG22 ' H ' ' A' ' 37' ' ' ASP . 1.4 p -106.43 -179.65 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.716 ' H ' HG22 ' A' ' 36' ' ' VAL . 2.1 m-20 -57.09 116.96 3.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 9.3 mtm180 42.43 37.09 0.87 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.564 ' C ' HG12 ' A' ' 36' ' ' VAL . 1.8 m -168.53 173.59 7.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.4 tp -150.37 130.73 13.75 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.962 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.45 ' CE1' ' HB2' ' A' ' 54' ' ' SER . 97.8 m-85 -125.49 148.47 48.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.902 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.653 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 55.5 p90 -121.48 167.29 13.0 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.911 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.653 ' CD1' ' C ' ' A' ' 42' ' ' TYR . 0.2 OUTLIER -156.18 174.75 14.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.927 -179.912 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.473 ' HA ' ' CD ' ' A' ' 31' ' ' ARG . 45.5 mttt -57.63 -49.0 77.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -150.36 -175.12 4.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 47' ' ' LYS . 7.4 pt-20 -54.19 -44.49 71.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 46' ' ' GLU . 21.6 mmmt -34.62 -38.52 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.922 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 59.29 49.55 8.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -53.69 -60.51 3.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.836 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 77.6 p -148.28 149.16 31.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.6 mt -70.01 138.44 22.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.116 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.59 ' HB2' ' CE2' ' A' ' 42' ' ' TYR . 55.1 mt -106.31 -32.5 8.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.513 ' HA3' ' CE1' ' A' ' 42' ' ' TYR . . . -157.76 153.48 24.68 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.491 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.45 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 16.2 p -112.46 135.62 52.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.836 0.35 . . . . 0.0 110.83 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.407 ' HA ' ' HD2' ' A' ' 56' ' ' PRO . 57.2 mt -124.13 105.1 31.8 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.594 0.711 . . . . 0.0 111.133 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 55' ' ' ILE . 53.4 Cg_endo -69.79 139.53 40.35 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.704 2.269 . . . . 0.0 112.338 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 19.8 mt -127.93 45.54 2.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.909 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 5.3 tp -65.81 -63.9 0.98 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.5 t -129.7 25.92 5.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -66.53 113.9 5.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 24.0 ttm180 -71.94 99.55 2.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.893 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.57 HG11 ' SD ' ' A' ' 104' ' ' MET . 41.1 t -94.34 127.24 46.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.093 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -170.6 156.51 5.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.139 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -42.57 142.64 0.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.099 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.48 HG11 HG13 ' A' ' 71' ' ' ILE . 4.5 m -59.1 176.0 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.105 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 10.4 mt-30 -107.37 157.0 36.71 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.587 0.708 . . . . 0.0 110.915 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -8.18 22.95 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.699 2.266 . . . . 0.0 112.384 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 72.3 m -90.42 -21.93 21.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.822 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -74.98 -22.08 58.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.816 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.3 t30 56.35 47.93 18.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.859 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.48 HG13 HG11 ' A' ' 65' ' ' VAL . 25.9 mm -78.24 88.26 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.14 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 71' ' ' ILE . 15.2 t -36.75 -62.19 0.49 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.798 -179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 37.7 mtp85 -48.6 127.13 12.94 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.819 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp -79.15 172.47 13.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.885 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.521 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 4.2 m-70 46.92 51.16 13.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.839 179.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.418 HG21 HG21 ' A' ' 71' ' ' ILE . 11.3 m -115.01 152.66 32.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.174 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.555 ' CD1' ' N ' ' A' ' 77' ' ' PHE . 0.5 OUTLIER -136.94 159.92 40.45 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 44.6 pttt -123.97 150.16 45.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -123.36 106.97 11.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 18.0 tt0 -105.61 152.85 22.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -127.41 -174.97 3.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.896 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.2 73.78 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.098 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 56.31 48.52 74.62 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.49 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 50.9 t -115.44 -68.81 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.833 0.349 . . . . 0.0 111.118 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -162.49 151.29 14.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.2 m -114.04 107.93 16.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.111 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.411 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 30.5 m-85 -89.95 171.52 9.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.411 ' CD1' ' O ' ' A' ' 87' ' ' TYR . 40.9 m-85 -148.06 125.89 11.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.87 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.513 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 51.2 m-85 -128.05 123.36 34.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.875 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 47.9 t -107.0 135.26 48.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.818 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -104.37 134.12 48.11 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.095 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -52.95 -44.51 67.14 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.3 m -112.81 159.13 35.58 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.662 0.744 . . . . 0.0 110.856 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.521 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 53.9 Cg_endo -69.79 -38.24 8.01 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.665 2.243 . . . . 0.0 112.335 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -59.33 -25.9 64.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -79.54 -55.5 4.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -40.84 -62.74 0.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.952 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -50.79 -56.11 13.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.853 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -45.56 -48.83 14.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.144 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.407 ' NE1' ' HE3' ' A' ' 13' ' ' LYS . 53.0 m95 -61.89 -57.52 11.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 85.2 mt -39.83 -37.25 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.107 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -83.27 -61.19 1.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.906 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -42.44 -63.25 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.101 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.57 ' SD ' HG11 ' A' ' 62' ' ' VAL . 2.9 ptp -73.65 -19.09 60.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -66.79 -52.13 35.92 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.469 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.496 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 7.7 pt-20 -55.16 -49.39 71.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.837 0.351 . . . . 0.0 110.876 -179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.496 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -46.37 -32.15 3.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.119 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -80.43 -35.4 35.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.091 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 71.0 mtt180 -63.71 151.09 42.89 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 73.6 t -141.21 118.58 8.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.188 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 -75.36 152.38 38.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 9.9 t -87.27 148.21 25.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.431 ' N ' ' HD2' ' A' ' 114' ' ' PRO . . . -179.92 -61.86 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.503 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.431 ' HD2' ' N ' ' A' ' 113' ' ' GLY . 54.0 Cg_endo -69.76 -23.26 31.02 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.678 2.252 . . . . 0.0 112.352 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 77.5 p -146.66 162.88 37.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.865 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 64.4 m 58.33 43.6 19.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.38 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.5 -179.992 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 N-CA-C 112.454 -0.258 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 m -109.79 138.31 46.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.904 0.383 . . . . 0.0 110.827 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.6 p -112.8 129.21 56.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.868 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 133.11 87.38 0.32 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.468 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.5 t -59.11 150.32 25.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 0.0 110.905 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.6 p -88.2 -44.35 10.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 8' ' ' ASN . . . -105.56 98.93 1.49 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.496 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.417 ' C ' ' O ' ' A' ' 7' ' ' GLY . 71.9 m-80 -36.28 107.8 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.831 0.348 . . . . 0.0 110.886 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -102.92 148.57 35.78 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.575 0.702 . . . . 0.0 111.108 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 179.78 3.43 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.685 2.257 . . . . 0.0 112.38 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 78.7 t -104.27 124.21 58.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 44.8 m -75.06 -59.69 2.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.122 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 57.2 tttp -148.56 156.14 42.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.517 ' HB1' HG22 ' A' ' 34' ' ' VAL . . . -158.37 130.92 7.06 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.122 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.406 ' HA2' ' CH2' ' A' ' 32' ' ' TRP . . . -168.59 163.71 37.41 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.44 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.571 ' CE3' ' HE2' ' A' ' 30' ' ' LYS . 90.4 m95 -74.38 119.65 18.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.807 0.337 . . . . 0.0 110.9 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.481 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 42.9 mt -130.47 160.79 33.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -108.8 114.62 28.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.6 tttm -88.79 125.12 34.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -70.37 120.01 15.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.916 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.45 144.68 20.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.072 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 65.0 p -124.44 172.71 8.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 47.9 t 45.94 37.44 3.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -179.75 -161.7 27.48 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.516 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.3 p -51.44 161.52 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.846 0.355 . . . . 0.0 111.105 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 65.7 mttt -94.04 84.52 4.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -125.97 168.27 14.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 58.6 m95 -124.75 130.23 52.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.925 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -122.36 142.88 50.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.571 ' HE2' ' CE3' ' A' ' 16' ' ' TRP . 37.8 tttt -84.57 142.72 29.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.9 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.3 tpp180 -161.07 152.05 18.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.895 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.408 ' CZ3' ' CD1' ' A' ' 16' ' ' TRP . 39.4 t-105 -78.65 122.69 26.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.972 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.481 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 34.5 m-85 -114.25 141.81 47.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.517 HG22 ' HB1' ' A' ' 14' ' ' ALA . 84.0 t -140.0 106.43 2.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.141 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 34.7 tp -67.09 114.92 6.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.895 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.691 HG22 ' H ' ' A' ' 37' ' ' ASP . 0.6 OUTLIER -104.84 -174.02 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.139 179.845 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.691 ' H ' HG22 ' A' ' 36' ' ' VAL . 4.7 m-20 -53.75 118.18 3.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 37' ' ' ASP . 28.7 mtm-85 34.28 41.32 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.514 ' HB3' HG12 ' A' ' 36' ' ' VAL . 1.6 t -171.77 163.95 6.48 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 48.1 tp -134.64 139.05 45.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.409 ' CE1' ' HB2' ' A' ' 54' ' ' SER . 67.3 m-85 -128.43 152.46 48.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.889 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.584 ' CE1' ' HB2' ' A' ' 52' ' ' LEU . 46.5 p90 -129.96 144.31 51.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.921 -179.829 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.513 ' CD1' ' N ' ' A' ' 43' ' ' TYR . 0.4 OUTLIER -133.3 155.18 49.88 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.939 -179.911 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.848 ' HG2' HD11 ' A' ' 52' ' ' LEU . 22.2 mttp -39.43 -48.77 2.0 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.414 ' HA ' ' CH2' ' A' ' 16' ' ' TRP . 17.3 p-10 -158.75 -178.92 7.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.857 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.432 ' O ' ' C ' ' A' ' 47' ' ' LYS . 20.8 mt-10 -44.32 -45.7 8.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.844 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 46' ' ' GLU . 30.3 mtpt -35.56 -36.03 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.406 ' HG2' ' CD2' ' A' ' 43' ' ' TYR . 8.8 tt0 53.8 47.88 22.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.878 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -52.66 -59.96 3.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.881 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.0 t -151.48 151.44 31.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 95.7 mt -66.9 124.46 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.086 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.848 HD11 ' HG2' ' A' ' 44' ' ' LYS . 76.9 mt -89.33 -35.1 16.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.941 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.544 ' HA3' ' CE2' ' A' ' 42' ' ' TYR . . . -158.2 160.09 30.58 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.472 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.409 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 5.7 p -119.3 133.88 55.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.81 0.338 . . . . 0.0 110.839 -179.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 52.3 mt -120.24 105.06 42.58 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.642 0.734 . . . . 0.0 111.114 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.598 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 53.6 Cg_endo -69.79 116.41 4.55 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.679 2.253 . . . . 0.0 112.339 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.417 ' CD1' ' HB2' ' A' ' 104' ' ' MET . 16.1 mt -106.03 40.46 1.58 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 13.4 tp -83.13 105.04 13.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.2 t 62.66 31.21 16.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.878 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.637 ' N ' ' HB1' ' A' ' 108' ' ' ALA . 5.4 m-85 -80.68 138.85 36.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.862 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 19.8 ttt180 -86.22 97.39 10.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.854 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.599 HG11 ' SD ' ' A' ' 104' ' ' MET . 15.3 t -101.95 131.4 50.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.121 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -171.64 165.49 6.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.075 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -58.03 130.87 48.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.839 HG22 ' O ' ' A' ' 76' ' ' THR . 11.2 m -53.74 174.92 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 17.3 mt-30 -119.78 160.45 42.44 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.57 0.7 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 -16.51 37.79 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.707 2.272 . . . . 0.0 112.334 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 50.6 m -92.68 11.95 24.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.849 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -104.55 -1.06 27.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.825 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 33.0 m-20 64.51 33.04 11.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.927 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 31.0 mm -101.58 83.64 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.123 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.6 t -61.9 -28.42 69.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.824 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 28.2 mtp85 -56.99 128.44 36.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 12.2 mtpt -80.51 166.65 20.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.517 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 2.2 m-70 43.35 51.05 6.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.857 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.89 HG23 ' O ' ' A' ' 89' ' ' PHE . 87.1 m -121.15 137.96 54.43 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.151 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.468 ' CZ ' ' HB2' ' A' ' 89' ' ' PHE . 7.3 p90 -121.74 165.62 15.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.577 ' HB3' ' CD1' ' A' ' 88' ' ' PHE . 5.1 pttm -129.35 152.73 48.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -140.26 106.62 5.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.125 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -130.11 147.96 51.91 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.54 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 5.3 t-160 -84.09 6.98 20.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.816 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.54 ' HB3' ' O ' ' A' ' 81' ' ' HIS . . . 73.57 41.49 0.44 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.111 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 151.53 -53.66 0.48 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.497 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 40.2 t -52.64 -71.66 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.834 0.35 . . . . 0.0 111.131 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -160.01 146.81 16.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.479 HG22 ' CE2' ' A' ' 88' ' ' PHE . 47.8 m -108.94 125.29 51.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.192 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -106.78 161.11 14.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.577 ' CD1' ' HB3' ' A' ' 78' ' ' LYS . 86.3 m-85 -144.04 133.59 23.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.882 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.89 ' O ' HG23 ' A' ' 76' ' ' THR . 58.8 m-85 -133.37 141.08 47.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 28.1 t -118.54 123.68 45.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -92.71 144.49 25.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.113 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -70.59 -25.63 63.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.896 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.1 t -130.05 150.13 75.14 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.609 0.719 . . . . 0.0 110.909 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.517 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 54.3 Cg_endo -69.77 -10.1 27.74 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.638 2.225 . . . . 0.0 112.384 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -85.72 -25.41 26.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -83.23 -46.18 12.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -43.41 -62.72 0.99 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.92 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -53.26 -56.99 12.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.913 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -44.74 -46.96 10.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.098 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.433 ' CE2' HD11 ' A' ' 17' ' ' LEU . 61.5 m95 -62.18 -55.52 27.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.926 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 94.2 mt -45.44 -34.3 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.084 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -86.71 -39.02 16.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.938 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -64.17 -60.33 3.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.052 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.599 ' SD ' HG11 ' A' ' 62' ' ' VAL . 8.9 ptp -74.26 -28.52 61.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.891 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -59.8 -48.98 83.4 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.525 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.497 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 8.3 pt-20 -59.17 -47.84 83.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.903 0.382 . . . . 0.0 110.915 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.497 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -45.23 -32.85 2.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.063 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.637 ' HB1' ' N ' ' A' ' 60' ' ' PHE . . . -74.7 -43.35 55.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.116 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 15.7 mtp85 -57.8 157.88 6.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 13.1 p -124.89 146.83 29.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.147 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 63.4 47.02 4.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.3 m -138.74 136.26 35.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 107.72 -155.86 16.09 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.494 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -18.67 36.79 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.656 2.237 . . . . 0.0 112.377 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 19.9 m -72.61 123.18 22.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.826 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 57.9 p -88.57 8.67 27.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.843 -179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.459 -179.98 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.1 m -141.53 169.04 18.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.881 0.372 . . . . 0.0 110.842 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.0 m -160.39 159.91 31.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.32 -169.37 16.31 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.46 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.4 t -103.49 91.63 4.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.833 0.349 . . . . 0.0 110.868 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.2 m -52.01 -45.71 64.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.852 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.67 -67.04 0.23 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.48 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -137.55 147.79 45.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.86 0.362 . . . . 0.0 110.877 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -138.64 152.64 71.24 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.607 0.718 . . . . 0.0 111.096 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 164.31 34.96 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.682 2.255 . . . . 0.0 112.37 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 94.2 t -101.38 137.15 30.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.107 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.0 m -87.5 -55.7 3.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.435 ' HE3' ' CE2' ' A' ' 100' ' ' TRP . 61.4 tttp -151.97 150.36 29.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.422 ' HB1' HG22 ' A' ' 34' ' ' VAL . . . -152.55 131.65 12.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.138 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -172.75 164.86 37.11 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.481 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.486 ' CE3' ' HE3' ' A' ' 30' ' ' LYS . 91.6 m95 -72.99 113.25 9.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.802 0.334 . . . . 0.0 110.93 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.842 HD11 ' CE2' ' A' ' 100' ' ' TRP . 28.5 mt -126.63 137.42 53.3 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -86.09 122.34 29.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.9 tttm -94.92 117.98 31.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.924 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.442 ' NE2' ' CD1' ' A' ' 71' ' ' ILE . 48.7 tt0 -38.57 152.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.538 ' HB2' ' O ' ' A' ' 27' ' ' GLN . . . -84.89 141.49 30.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.136 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.4 ' O ' ' C ' ' A' ' 23' ' ' SER . 40.8 m -71.61 -177.75 1.98 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.83 -179.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 22' ' ' SER . 93.1 p -37.39 100.37 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.878 -179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.5 -160.97 34.77 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.547 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.3 p -54.78 145.04 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.914 0.387 . . . . 0.0 111.135 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 38.0 mtpt -71.67 94.64 1.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.909 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.538 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 9.1 pt20 -151.9 157.32 41.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.884 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.443 ' CZ3' ' HB2' ' A' ' 90' ' ' SER . 31.2 m95 -116.56 134.25 55.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 72.9 m-80 -106.21 140.04 39.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.486 ' HE3' ' CE3' ' A' ' 16' ' ' TRP . 26.2 tttp -83.6 132.14 34.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.951 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.1 tpp85 -150.67 143.29 24.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.862 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 49.4 t-105 -69.26 122.75 19.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.934 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.484 ' CD2' ' HB2' ' A' ' 17' ' ' LEU . 26.2 m-85 -115.89 141.28 48.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.895 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.422 HG22 ' HB1' ' A' ' 14' ' ' ALA . 98.7 t -140.46 105.79 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.135 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.495 HD12 ' O ' ' A' ' 39' ' ' CYS . 28.9 tp -68.3 126.11 28.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.732 HG22 ' H ' ' A' ' 37' ' ' ASP . 1.4 p -121.5 -178.61 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.732 ' H ' HG22 ' A' ' 36' ' ' VAL . 4.3 m-20 -52.46 115.23 1.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 19.7 mtm180 39.81 38.63 0.47 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.845 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.495 ' O ' HD12 ' A' ' 35' ' ' LEU . 1.8 m -165.17 173.83 10.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.866 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 29.9 tp -151.73 111.83 4.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.525 ' CE1' ' HB2' ' A' ' 54' ' ' SER . 83.4 m-85 -97.99 154.44 17.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.892 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 35.7 p90 -140.86 144.78 35.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.94 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.536 ' CE2' HG12 ' A' ' 51' ' ' ILE . 0.6 OUTLIER -130.66 161.06 32.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.913 -179.86 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.2 ttmt -52.82 -40.85 63.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.899 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.458 ' OD2' ' CG ' ' A' ' 47' ' ' LYS . 11.7 p-10 -156.05 -177.84 6.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -52.67 -39.55 61.99 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.46 ' CB ' ' OE2' ' A' ' 49' ' ' GLU . 6.6 mmmm -42.98 -28.11 0.24 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.447 ' C ' ' O ' ' A' ' 47' ' ' LYS . 14.4 pt-20 34.89 47.59 0.27 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.854 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.46 ' OE2' ' CB ' ' A' ' 47' ' ' LYS . 41.5 mp0 -55.97 -51.65 66.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 53.2 p -148.42 138.06 22.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 -179.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.536 HG12 ' CE2' ' A' ' 43' ' ' TYR . 80.9 mt -65.95 128.86 29.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.125 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.6 mt -93.23 -41.51 9.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -155.21 155.46 26.26 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.44 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.525 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 11.9 t -123.34 156.4 35.43 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.809 0.338 . . . . 0.0 110.859 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 25.9 mt -127.74 105.14 20.89 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.662 0.744 . . . . 0.0 111.119 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 107.44 1.85 Allowed 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.698 2.265 . . . . 0.0 112.349 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 94.7 mt -100.06 57.05 0.96 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.2 tp -62.65 -68.72 0.31 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 56.0 p -131.72 32.11 4.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.836 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.589 ' CE2' ' HB2' ' A' ' 81' ' ' HIS . 8.5 m-85 -65.96 158.52 27.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.874 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 38.0 ttp180 -111.3 99.25 8.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.57 HG11 ' SD ' ' A' ' 104' ' ' MET . 17.2 t -94.24 127.86 45.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.15 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -169.2 174.41 6.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.069 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -61.16 133.93 56.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.557 HG12 ' HB3' ' A' ' 78' ' ' LYS . 17.4 m -61.31 161.87 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.6 mt-30 -99.96 156.91 34.77 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.639 0.733 . . . . 0.0 110.893 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -0.03 6.33 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.671 2.247 . . . . 0.0 112.374 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 65.3 p -120.79 30.86 6.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.848 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 80.4 m-20 -112.56 0.38 15.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 41.4 t30 64.93 37.92 6.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.461 HG22 ' HB2' ' A' ' 73' ' ' ARG . 12.1 mm -91.77 -57.12 4.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.116 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 3.8 m 56.16 44.08 25.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.461 ' HB2' HG22 ' A' ' 71' ' ' ILE . 10.2 mtp85 -141.94 117.8 10.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.83 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 30.1 mttp -66.96 153.94 42.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.558 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 3.9 m-70 56.5 42.64 27.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.812 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.493 HG23 ' O ' ' A' ' 89' ' ' PHE . 16.7 m -120.36 140.27 51.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.095 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.549 ' CE2' ' HB2' ' A' ' 89' ' ' PHE . 1.5 p90 -128.49 158.21 39.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.895 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.582 ' HB3' ' CD2' ' A' ' 88' ' ' PHE . 26.6 pttt -130.4 145.61 51.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.836 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -113.4 102.69 10.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.097 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -101.37 127.35 48.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.901 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.589 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . 50.2 t-80 -99.32 169.77 9.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.509 ' N ' ' CG ' ' A' ' 81' ' ' HIS . . . -30.77 -60.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.099 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -175.65 25.12 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.526 -179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.471 HG13 ' N ' ' A' ' 85' ' ' ARG . 8.7 p -93.45 -42.87 13.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.827 0.346 . . . . 0.0 111.153 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.471 ' N ' HG13 ' A' ' 84' ' ' VAL . 18.8 ttt180 -175.38 162.77 2.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 95.2 m -134.7 101.62 5.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.136 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -80.92 166.38 20.92 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.582 ' CD2' ' HB3' ' A' ' 78' ' ' LYS . 53.6 m-85 -138.03 151.71 48.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.889 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.549 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 33.7 m-85 -146.55 139.15 25.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.443 ' HB2' ' CZ3' ' A' ' 28' ' ' TRP . 26.8 t -122.54 118.44 28.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -90.09 140.37 29.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.102 179.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -64.64 -39.43 93.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.3 m -114.76 156.21 45.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.654 0.74 . . . . 0.0 110.911 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.558 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 54.2 Cg_endo -69.75 -30.39 22.39 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.733 2.289 . . . . 0.0 112.34 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 16.0 pt-20 -66.47 -35.97 81.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -72.85 -48.35 38.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -41.66 -65.17 0.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -53.26 -51.32 62.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -46.95 -45.73 21.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.842 ' CE2' HD11 ' A' ' 17' ' ' LEU . 57.3 m95 -67.16 -55.73 12.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.937 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 69.6 mt -41.67 -34.75 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 16.7 mt-30 -86.57 -51.68 6.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -48.91 -67.01 0.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.117 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.57 ' SD ' HG11 ' A' ' 62' ' ' VAL . 5.0 ptp -69.3 -25.42 64.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -62.26 -41.09 99.73 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.735 . . . . 0.0 112.453 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -65.43 -41.97 92.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 110.853 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -52.85 -25.59 12.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.111 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -82.61 -24.82 33.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.052 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 6.2 ptt-85 -67.1 150.31 49.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.848 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 13.7 p -123.6 128.9 74.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.124 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -101.86 134.13 45.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.4 m -100.16 111.09 23.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.85 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -176.58 80.02 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.532 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 94.61 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.655 2.237 . . . . 0.0 112.348 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 4.3 m 53.79 41.82 31.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.842 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 5.4 t -89.7 83.28 6.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.478 -179.955 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -101.59 119.61 39.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.893 0.377 . . . . 0.0 110.845 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.2 m -43.0 -53.78 4.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.859 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.92 73.24 1.16 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.469 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -118.53 150.19 40.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.901 0.382 . . . . 0.0 110.869 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.0 t -91.17 143.14 26.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.866 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 145.3 -141.64 10.03 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.531 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -79.16 131.84 36.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.814 0.34 . . . . 0.0 110.921 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -125.84 144.19 47.67 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.603 0.716 . . . . 0.0 111.084 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 162.42 42.12 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.732 2.288 . . . . 0.0 112.335 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 96.4 t -65.95 140.94 18.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.109 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.0 m -88.55 -52.14 5.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.18 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.453 ' HD3' ' CB ' ' A' ' 103' ' ' ALA . 27.4 tttp -150.45 156.02 40.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.874 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -157.25 138.14 13.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.146 179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.537 ' HA2' ' CZ3' ' A' ' 32' ' ' TRP . . . -178.69 161.29 27.67 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.518 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.475 ' CD1' ' CZ3' ' A' ' 32' ' ' TRP . 91.2 m95 -73.01 111.94 8.58 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.773 0.32 . . . . 0.0 110.913 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.509 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 18.7 mt -119.74 145.72 46.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.888 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -89.22 117.43 28.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.883 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -94.63 116.27 28.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.942 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -50.68 149.09 3.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.58 176.35 6.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.127 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 94.9 p -151.69 135.16 16.12 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.87 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 24.0 m 60.46 44.06 12.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -174.2 -161.99 25.12 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.542 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.4 p -57.2 156.81 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.895 0.378 . . . . 0.0 111.102 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.425 ' HA ' ' NZ ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -83.65 81.85 8.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.911 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -131.12 178.2 6.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 56.0 m95 -128.83 130.02 46.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 54.3 m-80 -109.42 112.57 24.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -55.95 130.52 44.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.475 ' NE ' ' HA ' ' A' ' 44' ' ' LYS . 2.2 tpm_? -147.94 148.22 30.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.845 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.547 ' CE2' ' OE1' ' A' ' 46' ' ' GLU . 68.8 t-105 -79.16 122.22 26.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.509 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 30.8 m-85 -113.0 140.29 47.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 53.8 t -132.82 110.52 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.156 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.409 HD12 ' O ' ' A' ' 39' ' ' CYS . 47.4 tp -72.11 121.77 19.82 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.737 HG22 ' H ' ' A' ' 37' ' ' ASP . 1.1 p -116.6 -176.42 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.108 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.737 ' H ' HG22 ' A' ' 36' ' ' VAL . 21.0 p-10 -50.73 117.49 2.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.915 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.471 ' HA ' ' HB1' ' A' ' 107' ' ' ALA . 76.1 mtt180 34.62 32.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.913 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.503 ' HB2' ' CG1' ' A' ' 36' ' ' VAL . 1.7 m -154.54 168.02 28.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.1 tp -144.49 123.53 12.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.935 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -110.27 169.95 8.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.555 ' CE1' ' HB2' ' A' ' 52' ' ' LEU . 20.4 p90 -151.34 142.33 23.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.974 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.511 ' CD2' ' HA ' ' A' ' 48' ' ' GLU . 0.8 OUTLIER -133.02 164.23 27.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.927 -179.902 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.747 ' HG2' HD11 ' A' ' 52' ' ' LEU . 34.8 mmtt -58.54 -40.84 84.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.92 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 46' ' ' GLU . 13.9 t70 -155.99 172.39 18.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.859 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.547 ' OE1' ' CE2' ' A' ' 32' ' ' TRP . 6.4 mm-40 -36.38 -41.81 0.3 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 46' ' ' GLU . 65.3 mttt -35.57 -46.44 0.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.511 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 5.5 pt-20 43.07 26.53 0.08 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.91 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -49.75 -62.24 1.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 60.4 p -120.44 129.37 53.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.855 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.451 HG12 ' CE2' ' A' ' 43' ' ' TYR . 68.5 mt -66.62 141.43 17.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.078 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.747 HD11 ' HG2' ' A' ' 44' ' ' LYS . 14.9 mt -99.86 -38.92 8.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.938 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -156.2 156.32 27.0 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.503 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 61.4 p -122.61 129.31 51.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.879 0.371 . . . . 0.0 110.821 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.617 HG23 ' CZ ' ' A' ' 87' ' ' TYR . 30.8 mt -110.38 119.04 47.84 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.641 0.734 . . . . 0.0 111.137 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 136.66 33.6 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.657 2.238 . . . . 0.0 112.386 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 18.7 mt -124.86 40.44 3.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 55.8 tp -90.53 116.64 28.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.957 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 41.6 m 52.45 41.01 30.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.837 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.653 ' H ' ' HB1' ' A' ' 108' ' ' ALA . 9.0 m-85 -89.31 158.23 17.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.877 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 27.8 ttt180 -109.89 95.22 5.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.863 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 48.2 t -97.08 128.32 48.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.138 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -173.02 155.16 2.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.102 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -41.7 133.75 2.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.08 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.426 HG13 ' CA ' ' A' ' 77' ' ' PHE . 19.6 m -52.52 176.34 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.159 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 22.3 mt-30 -116.65 159.32 40.86 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.624 0.726 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -0.43 6.93 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.678 2.252 . . . . 0.0 112.326 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 39.3 m -119.6 35.68 4.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -124.18 8.73 8.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 55.51 34.54 23.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.866 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 23.4 mm -98.59 88.34 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.161 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 48.2 m -83.44 45.81 1.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.862 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 15.7 mtp85 -133.86 123.18 24.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.457 ' HE2' ' CE1' ' A' ' 75' ' ' HIS . 1.3 mmmm -73.09 143.56 47.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.906 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.548 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 2.3 m-70 68.64 45.47 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.874 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.427 HG23 ' O ' ' A' ' 89' ' ' PHE . 17.7 m -119.51 147.0 44.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.113 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.442 ' CZ ' ' HB2' ' A' ' 89' ' ' PHE . 3.1 p90 -132.3 161.52 33.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 42.6 pttt -122.98 146.56 47.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -124.23 104.82 9.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.076 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -114.48 135.45 54.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.897 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.582 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . 7.4 t-160 -112.22 67.88 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 62.25 25.08 14.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.086 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.468 ' O ' ' C ' ' A' ' 84' ' ' VAL . . . 104.1 -32.02 8.0 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.487 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.469 HG21 ' CE1' ' A' ' 81' ' ' HIS . 69.8 t -32.26 -48.93 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.829 0.347 . . . . 0.0 111.109 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -174.31 141.19 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.6 m -114.36 104.81 12.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.1 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.617 ' CZ ' HG23 ' A' ' 55' ' ' ILE . 86.5 m-85 -94.02 136.4 34.35 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.931 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 62.8 m-85 -112.86 135.15 53.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 87' ' ' TYR . 40.7 m-85 -139.06 123.52 18.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.873 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 48.5 t -105.2 122.22 45.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.904 -179.83 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -92.82 133.3 36.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.101 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -54.13 -44.13 71.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.895 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 66.1 m -109.38 150.9 41.74 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.691 0.758 . . . . 0.0 110.814 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.548 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 54.2 Cg_endo -69.72 -25.97 28.23 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.642 2.228 . . . . 0.0 112.391 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -69.51 -31.27 69.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.863 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -76.35 -48.24 20.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 11.6 tt0 -44.12 -57.7 3.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.941 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -58.16 -52.35 65.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -47.43 -49.04 26.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.11 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.407 ' O ' ' C ' ' A' ' 101' ' ' ILE . 63.1 m95 -58.79 -59.93 4.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.941 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.407 ' C ' ' O ' ' A' ' 100' ' ' TRP . 96.2 mt -36.95 -35.59 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.103 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -86.83 -49.01 7.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.453 ' CB ' ' HD3' ' A' ' 13' ' ' LYS . . . -54.26 -56.5 17.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.089 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 10.0 ptp -78.56 -25.08 45.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.906 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -67.96 -42.21 85.95 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.498 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.409 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 6.2 pt-20 -59.37 -43.02 92.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.878 0.37 . . . . 0.0 110.842 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.471 ' HB1' ' HA ' ' A' ' 38' ' ' ARG . . . -60.36 -29.54 68.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.075 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.653 ' HB1' ' H ' ' A' ' 60' ' ' PHE . . . -82.82 -38.37 23.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.075 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.97 173.34 11.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 12.1 p -129.17 132.87 66.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.115 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -55.39 154.28 6.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 58.5 p -72.87 174.48 7.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 74.14 173.72 29.51 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 85.23 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.627 2.218 . . . . 0.0 112.357 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.5 t -39.81 149.73 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 23.3 t -87.92 -50.14 6.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.829 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.511 179.977 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.496 -0.241 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -93.52 92.77 7.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.876 0.37 . . . . 0.0 110.842 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.3 t -70.91 99.3 1.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.27 -164.6 21.0 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.485 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.4 m -137.09 158.0 45.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.876 0.37 . . . . 0.0 110.89 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 m -54.14 -43.68 70.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.875 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.04 68.66 0.1 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.458 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -66.08 -47.69 73.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.854 0.359 . . . . 0.0 110.869 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.05 154.65 89.23 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.587 0.708 . . . . 0.0 111.074 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 157.97 58.48 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.684 2.256 . . . . 0.0 112.386 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 76.0 t -61.22 135.29 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.121 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.6 m -82.49 -47.49 12.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.119 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.454 ' HD3' ' CD2' ' A' ' 100' ' ' TRP . 36.3 tttp -156.95 153.45 28.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -156.85 131.3 8.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -175.13 161.53 30.85 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.509 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.489 ' CD2' ' HE2' ' A' ' 30' ' ' LYS . 94.6 m95 -74.71 114.06 12.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.826 0.346 . . . . 0.0 110.913 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.441 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 22.9 mt -122.72 144.03 49.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.894 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -92.7 126.34 37.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.2 tttm -105.0 133.3 50.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -64.35 140.74 58.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.948 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -60.69 153.31 24.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.106 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.6 m -122.7 122.07 37.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.4 t 71.62 49.34 0.29 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -178.14 -166.33 34.36 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.494 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 6.8 m -49.91 163.35 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.881 0.372 . . . . 0.0 111.127 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.2 mmtp -86.08 59.76 5.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.919 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -105.41 174.61 5.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.931 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 43.6 m95 -128.4 133.41 48.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -115.21 130.12 56.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.489 ' HE2' ' CD2' ' A' ' 16' ' ' TRP . 43.6 tttt -71.07 139.9 50.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.911 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.7 tpp85 -156.97 143.56 18.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.831 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 75.3 t-105 -74.81 118.44 17.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.949 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.441 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 38.6 m-85 -112.71 136.79 51.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.425 ' C ' HD12 ' A' ' 40' ' ' LEU . 89.7 t -134.96 100.49 2.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.156 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.442 HD12 ' O ' ' A' ' 39' ' ' CYS . 14.6 tp -63.49 125.27 23.65 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.959 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.69 HG22 ' H ' ' A' ' 37' ' ' ASP . 0.5 OUTLIER -114.31 -173.54 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.101 179.906 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.69 ' H ' HG22 ' A' ' 36' ' ' VAL . 2.2 t70 -56.9 124.45 18.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.465 ' C ' ' O ' ' A' ' 37' ' ' ASP . 18.2 mtt180 32.64 36.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.501 ' HB3' ' CG1' ' A' ' 36' ' ' VAL . 1.6 t -170.49 172.07 6.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.425 HD12 ' C ' ' A' ' 34' ' ' VAL . 7.3 tp -146.38 142.98 28.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.924 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -129.63 150.29 51.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.906 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.585 ' CE1' ' HB2' ' A' ' 52' ' ' LEU . 46.3 p90 -131.07 145.72 52.12 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.926 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.52 ' CG ' ' HA ' ' A' ' 48' ' ' GLU . 2.0 m-85 -130.2 157.91 41.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 -179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 7.6 tptm -50.18 -39.98 45.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.882 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -154.78 -177.09 6.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.909 179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.47 ' O ' ' N ' ' A' ' 48' ' ' GLU . 2.8 pp20? -49.13 -41.25 35.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.904 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.486 ' O ' ' C ' ' A' ' 48' ' ' GLU . 45.5 mttp -36.86 -30.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.52 ' HA ' ' CG ' ' A' ' 43' ' ' TYR . 6.6 pt-20 31.05 46.53 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 63.1 mm-40 -80.55 -53.88 6.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.897 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 89.3 p -117.75 131.77 56.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.485 HG12 ' CE2' ' A' ' 43' ' ' TYR . 55.1 mt -80.26 132.68 31.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.129 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.585 ' HB2' ' CE1' ' A' ' 42' ' ' TYR . 9.7 mt -92.27 -46.86 7.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.926 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.418 ' HA3' ' CE2' ' A' ' 42' ' ' TYR . . . -148.23 154.36 25.83 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.463 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 59.9 p -121.11 134.85 55.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.89 0.376 . . . . 0.0 110.847 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.419 ' HA ' ' HD2' ' A' ' 56' ' ' PRO . 22.2 mt -113.61 104.95 55.26 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.675 0.75 . . . . 0.0 111.152 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.588 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 54.3 Cg_endo -69.69 101.79 0.94 Allowed 'Trans proline' 0 C--O 1.233 0.229 0 C-N-CA 122.705 2.27 . . . . 0.0 112.383 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.438 HD13 ' HB2' ' A' ' 104' ' ' MET . 60.1 mt -91.71 46.04 1.26 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.4 tp -69.07 -61.19 1.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.4 t -130.92 42.69 3.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.873 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.588 ' CE1' ' O ' ' A' ' 56' ' ' PRO . 5.8 m-85 -80.34 170.34 16.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 52.8 ttt180 -121.09 96.38 5.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.758 HG21 ' HG3' ' A' ' 104' ' ' MET . 40.1 t -99.96 128.96 51.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.145 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.424 ' O ' ' C ' ' A' ' 64' ' ' ALA . . . -173.99 142.75 0.88 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 63' ' ' ALA . . . -35.31 132.05 0.41 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.09 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.486 HG22 ' O ' ' A' ' 76' ' ' THR . 22.7 m -54.02 -177.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.098 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 41.7 mt-30 -130.6 160.58 65.53 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.633 0.73 . . . . 0.0 110.88 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -3.59 12.27 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.708 2.272 . . . . 0.0 112.32 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.9 m -100.56 -10.42 21.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.875 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -88.14 3.97 47.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.928 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 29.8 m-20 59.67 30.87 20.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 20.5 mm -94.78 84.76 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.156 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.4 t -80.98 43.74 0.72 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.887 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 22.6 mtp85 -127.97 113.74 16.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.831 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -62.53 152.16 35.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.898 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.498 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 2.0 m-70 57.21 45.22 20.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.841 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.486 ' O ' HG22 ' A' ' 65' ' ' VAL . 30.9 m -121.46 140.17 52.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.147 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.58 ' CE2' ' HB2' ' A' ' 89' ' ' PHE . 3.1 p90 -128.55 160.89 30.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.861 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.9 pttp -119.02 146.51 44.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -134.17 103.73 5.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.083 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.669 ' HB3' HG23 ' A' ' 86' ' ' THR . 16.3 pt-20 -125.47 150.51 47.28 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.468 ' O ' ' CD2' ' A' ' 81' ' ' HIS . 22.4 t-160 -96.55 16.15 19.6 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 56.79 47.91 17.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.097 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 156.89 -51.6 0.42 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.498 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 86.0 t -60.7 -71.8 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.85 0.357 . . . . 0.0 111.17 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -166.81 158.85 13.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.843 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.669 HG23 ' HB3' ' A' ' 80' ' ' GLU . 8.5 m -110.0 108.94 19.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -91.49 169.75 10.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -149.1 119.88 7.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.84 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.58 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 54.8 m-85 -120.97 128.52 52.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.867 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 45.5 t -106.75 138.35 43.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.816 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -109.43 135.94 49.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.121 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -59.88 -44.79 94.0 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 16.9 p -108.22 151.68 41.53 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.639 0.733 . . . . 0.0 110.86 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.498 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 54.3 Cg_endo -69.76 -21.34 33.64 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.7 2.267 . . . . 0.0 112.363 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -73.61 -35.7 65.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.844 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -71.71 -49.23 41.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.861 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -40.81 -60.92 1.05 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.923 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -57.24 -51.73 68.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.904 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -44.51 -51.42 8.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.09 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.454 ' CD2' ' HD3' ' A' ' 13' ' ' LYS . 75.1 m95 -61.84 -59.74 4.69 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 100' ' ' TRP . 96.9 mt -36.73 -38.29 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.13 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -85.45 -47.45 9.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.944 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.4 -60.3 3.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.102 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.758 ' HG3' HG21 ' A' ' 62' ' ' VAL . 6.7 ptm -73.64 -33.73 64.65 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -60.71 -53.0 48.96 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.472 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.473 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 6.0 pt-20 -48.64 -46.57 40.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.875 0.369 . . . . 0.0 110.909 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.473 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -53.21 -33.52 53.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.147 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.494 ' HB1' ' O ' ' A' ' 60' ' ' PHE . . . -72.57 -37.65 68.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.1 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 31.5 mtp180 -53.44 161.6 0.95 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.466 HG13 ' NE2' ' A' ' 111' ' ' GLN . 89.2 t -129.17 131.16 68.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.129 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.466 ' NE2' HG13 ' A' ' 110' ' ' VAL . 4.2 pm0 -34.43 138.51 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.408 ' C ' ' O ' ' A' ' 111' ' ' GLN . 73.5 m 37.5 51.77 1.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -55.56 151.1 19.87 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 115' ' ' SER . 53.3 Cg_endo -69.77 2.83 3.19 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.693 2.262 . . . . 0.0 112.352 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 114' ' ' PRO . 9.6 m -34.56 -47.59 0.33 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.893 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 19.8 m -94.27 97.96 10.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.869 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.455 -179.975 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t -107.37 139.72 41.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.875 0.369 . . . . 0.0 110.861 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.9 t -85.87 93.31 8.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.884 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 45.98 -105.8 0.11 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.481 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.3 t -137.52 119.35 15.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.857 0.36 . . . . 0.0 110.842 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.6 p -119.5 162.22 19.25 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.17 98.39 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.442 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -101.21 140.25 35.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.806 0.336 . . . . 0.0 110.936 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.626 ' HB1' ' HD2' ' A' ' 10' ' ' PRO . . . -157.77 161.37 29.12 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.56 0.695 . . . . 0.0 111.094 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.626 ' HD2' ' HB1' ' A' ' 9' ' ' ALA . 53.3 Cg_endo -69.79 155.37 66.01 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.708 2.272 . . . . 0.0 112.334 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 82.2 t -59.65 143.4 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.151 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 13.4 m -89.07 -50.96 5.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.094 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -153.23 149.1 27.62 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.406 ' HB2' HG13 ' A' ' 34' ' ' VAL . . . -148.28 129.22 14.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.086 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.51 ' HA2' ' CZ3' ' A' ' 32' ' ' TRP . . . -170.42 162.17 35.28 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.471 ' CD1' ' CZ3' ' A' ' 32' ' ' TRP . 91.6 m95 -75.5 117.65 17.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.824 0.345 . . . . 0.0 110.975 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.568 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 16.4 mt -124.28 127.76 48.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.949 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.575 ' CE1' ' HD2' ' A' ' 30' ' ' LYS . 10.7 m-85 -73.36 118.85 16.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 48.0 tttt -93.96 107.37 19.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.881 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 50.8 tt0 -39.92 153.94 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.39 93.01 8.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.093 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 62.4 p -46.59 -49.84 18.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 79.7 p -106.23 176.83 5.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 59.05 -163.93 10.23 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.469 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.4 p -56.52 152.6 2.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.898 0.38 . . . . 0.0 111.116 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -73.64 82.63 1.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.925 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.8 pt20 -119.02 177.34 4.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.939 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 55.4 m95 -128.55 126.05 39.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.94 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -109.36 126.51 53.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.575 ' HD2' ' CE1' ' A' ' 18' ' ' PHE . 18.9 tttt -71.63 131.71 43.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.477 ' NE ' ' HA ' ' A' ' 44' ' ' LYS . 1.6 tpm_? -144.61 159.96 41.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.866 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.51 ' CZ3' ' HA2' ' A' ' 15' ' ' GLY . 56.4 t-105 -89.17 109.58 20.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.568 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 30.9 m-85 -103.84 128.59 51.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.406 HG13 ' HB2' ' A' ' 14' ' ' ALA . 67.5 t -127.56 103.28 10.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.155 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.795 HD12 ' O ' ' A' ' 39' ' ' CYS . 15.3 tp -71.65 119.76 16.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.737 HG22 ' H ' ' A' ' 37' ' ' ASP . 0.9 OUTLIER -86.87 -174.17 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.123 179.829 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.737 ' H ' HG22 ' A' ' 36' ' ' VAL . 1.8 p30 -30.68 -59.6 0.2 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.851 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.489 ' N ' ' OD1' ' A' ' 37' ' ' ASP . 3.1 mtt85 -131.21 -32.21 1.6 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.863 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.795 ' O ' HD12 ' A' ' 35' ' ' LEU . 63.0 m -82.47 179.69 7.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.909 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 28.5 tp -139.85 112.26 7.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 63.2 m-85 -102.05 171.33 7.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.446 ' CE2' ' HA3' ' A' ' 53' ' ' GLY . 42.5 p90 -154.71 154.04 32.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.928 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.54 ' CD2' ' HA ' ' A' ' 48' ' ' GLU . 0.9 OUTLIER -140.46 148.0 40.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.922 -179.911 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.477 ' HA ' ' NE ' ' A' ' 31' ' ' ARG . 34.4 mmtt -47.3 -35.11 7.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.931 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.438 ' OD1' ' N ' ' A' ' 45' ' ' ASP . 1.0 OUTLIER -146.4 -176.72 5.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.843 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -76.89 48.03 0.56 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.408 ' NZ ' ' HB2' ' A' ' 44' ' ' LYS . 8.3 pttm -100.13 -28.67 12.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.896 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.54 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 4.8 pt-20 39.72 43.06 1.08 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.866 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -102.36 -66.84 0.9 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.4 m -113.47 104.94 12.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.87 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.528 HG12 ' CE2' ' A' ' 43' ' ' TYR . 90.3 mt -59.94 134.83 25.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.129 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.467 ' CD1' ' HG2' ' A' ' 44' ' ' LYS . 8.0 mt -94.04 -41.96 9.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.935 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.446 ' HA3' ' CE2' ' A' ' 42' ' ' TYR . . . -150.06 144.0 11.41 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.505 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 8.9 t -110.12 145.79 36.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.873 0.368 . . . . 0.0 110.871 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.423 ' HA ' ' HD2' ' A' ' 56' ' ' PRO . 45.9 mt -126.4 105.08 24.54 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.616 0.722 . . . . 0.0 111.11 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 55' ' ' ILE . 54.0 Cg_endo -69.81 133.32 25.19 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.706 2.27 . . . . 0.0 112.357 179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 81.6 mt -128.93 55.17 1.74 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.8 tp -76.89 -63.22 1.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.973 179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.7 m -128.22 40.44 3.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.839 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -78.33 -179.82 6.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.861 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 38.5 ttm180 -129.97 92.31 3.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.882 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.411 HG11 ' HG3' ' A' ' 104' ' ' MET . 8.2 t -98.84 131.08 46.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.105 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -174.14 157.34 2.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.119 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -42.74 137.02 2.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.122 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.719 HG21 HG21 ' A' ' 71' ' ' ILE . 23.8 m -64.66 -179.05 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.127 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.446 ' CD ' ' HD2' ' A' ' 67' ' ' PRO . 2.5 mm100 -131.01 161.85 59.15 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.575 0.702 . . . . 0.0 110.903 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.446 ' HD2' ' CD ' ' A' ' 66' ' ' GLN . 53.8 Cg_endo -69.75 -9.07 25.21 Favored 'Trans proline' 0 N--CA 1.465 -0.186 0 C-N-CA 122.672 2.248 . . . . 0.0 112.357 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 15.0 m -88.68 -14.25 37.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.1 m-20 -88.98 -0.11 57.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.88 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.8 m120 63.68 36.05 11.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.719 HG21 HG21 ' A' ' 65' ' ' VAL . 25.0 mm -92.86 88.77 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.141 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 60.5 m -83.6 42.23 0.83 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 28.8 mtp180 -134.47 120.54 19.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.86 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.2 mmtm -70.6 149.04 47.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.479 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 2.5 m-70 65.21 41.86 4.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.853 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.612 ' O ' HG22 ' A' ' 65' ' ' VAL . 10.3 m -120.63 136.47 54.81 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.476 ' CE2' ' HB2' ' A' ' 89' ' ' PHE . 6.8 p90 -124.16 162.97 22.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.909 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.533 ' HB3' ' CE1' ' A' ' 88' ' ' PHE . 32.7 pttt -129.95 144.44 51.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.923 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.409 ' CB ' HG22 ' A' ' 62' ' ' VAL . . . -125.59 118.41 25.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.097 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.421 ' HB2' HG23 ' A' ' 86' ' ' THR . 35.9 tt0 -133.17 150.24 52.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.559 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 3.8 t-160 -103.8 18.33 22.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' A' ' 81' ' ' HIS . . . 74.7 44.99 0.18 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.103 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.448 ' O ' ' C ' ' A' ' 84' ' ' VAL . . . 133.41 -57.07 0.71 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.511 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.448 ' C ' ' O ' ' A' ' 83' ' ' GLY . 67.7 t -34.02 -67.26 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.908 0.385 . . . . 0.0 111.189 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 6.9 tpt180 -167.95 152.06 6.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.421 HG23 ' HB2' ' A' ' 80' ' ' GLU . 2.2 m -115.83 100.19 7.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 62.1 m-85 -86.94 158.87 19.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.533 ' CE1' ' HB3' ' A' ' 78' ' ' LYS . 63.2 m-85 -140.86 130.03 23.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.865 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.476 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 42.0 m-85 -134.14 137.31 44.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.897 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 31.0 t -114.44 129.92 56.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -96.47 138.66 33.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.1 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -58.49 -43.84 89.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.882 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.8 m -115.6 160.13 35.93 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.669 0.747 . . . . 0.0 110.866 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.479 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 53.9 Cg_endo -69.82 -35.82 11.76 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.652 2.235 . . . . 0.0 112.346 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -59.61 -39.59 84.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -67.22 -49.82 63.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.885 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -42.01 -62.45 0.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.922 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -56.54 -50.01 73.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.868 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -48.3 -46.32 36.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.469 ' O ' ' N ' ' A' ' 102' ' ' GLN . 65.1 m95 -65.22 -62.92 1.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.936 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.438 ' C ' ' O ' ' A' ' 100' ' ' TRP . 86.4 mt -34.66 -34.06 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.105 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 100' ' ' TRP . 24.9 mt-30 -88.51 -54.06 4.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.916 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.57 -51.76 45.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.09 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.411 ' HG3' HG11 ' A' ' 62' ' ' VAL . 7.8 ptm -81.14 -38.49 27.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.872 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -55.02 -48.54 66.91 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.488 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.402 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 5.5 pt-20 -53.28 -42.92 67.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.891 0.377 . . . . 0.0 110.898 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.402 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -57.58 -27.61 62.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.092 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -86.13 -33.56 20.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.126 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -85.53 154.73 21.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 91.1 t -142.04 147.53 21.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.144 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 38.5 tt0 -98.29 110.74 23.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.938 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 91.8 p -100.34 37.43 1.68 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -97.07 -156.88 30.78 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.49 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 114.66 3.77 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.762 2.308 . . . . 0.0 112.333 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 t -90.75 125.81 35.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 72.7 m -83.59 -54.02 5.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.854 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.497 179.989 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.6 t -88.44 103.98 16.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 0.0 110.847 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -56.55 162.23 2.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.83 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.26 144.64 0.34 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.491 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.4 p 42.42 42.26 2.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.881 0.372 . . . . 0.0 110.87 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.1 t -99.79 99.91 10.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.892 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.71 -177.62 49.32 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.48 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 61.9 t-20 50.66 40.31 23.7 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.822 0.344 . . . . 0.0 110.877 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.558 ' HB1' ' HD2' ' A' ' 10' ' ' PRO . . . -40.1 159.62 0.13 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.562 0.696 . . . . 0.0 111.094 179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.558 ' HD2' ' HB1' ' A' ' 9' ' ' ALA . 54.1 Cg_endo -69.76 179.87 3.39 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.649 2.233 . . . . 0.0 112.365 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 95.7 t -110.29 135.13 50.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.139 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.3 m -90.22 -43.24 10.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.137 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 35.0 tttp -156.59 149.31 23.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.852 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -157.33 134.26 10.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.065 179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -174.28 162.75 33.24 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.493 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.551 ' CE3' ' HE2' ' A' ' 30' ' ' LYS . 92.4 m95 -73.93 107.84 6.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.782 0.325 . . . . 0.0 110.873 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.427 HD11 ' CE2' ' A' ' 100' ' ' TRP . 18.0 mt -120.18 129.7 54.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.921 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -78.62 116.48 19.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.88 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.1 tttt -88.2 139.94 29.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 48.9 tt0 -81.95 127.02 32.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.48 105.28 4.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.098 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.1 t -65.62 -42.51 91.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.8 t -81.2 167.45 19.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.838 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 46.55 -163.81 0.14 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.501 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.1 m -45.55 160.21 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.876 0.369 . . . . 0.0 111.149 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.5 mptt -90.76 87.63 6.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.905 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -128.4 177.76 6.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 45.5 m95 -119.51 154.11 34.32 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.87 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -140.56 133.26 28.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.94 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.551 ' HE2' ' CE3' ' A' ' 16' ' ' TRP . 21.5 tttm -70.01 127.62 33.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.8 tpp180 -147.72 142.8 27.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.913 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 48.4 t-105 -76.48 121.68 23.45 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.881 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -113.97 139.32 49.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.928 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 48.6 t -134.3 106.1 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.429 HD12 ' O ' ' A' ' 39' ' ' CYS . 25.2 tp -65.78 126.17 27.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.741 HG22 ' H ' ' A' ' 37' ' ' ASP . 2.3 p -120.91 179.25 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.741 ' H ' HG22 ' A' ' 36' ' ' VAL . 2.3 m-20 -51.59 114.83 1.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.891 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 57.3 mtt180 39.4 39.24 0.45 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.529 ' C ' HG12 ' A' ' 36' ' ' VAL . 1.5 m -166.55 173.57 9.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.4 tp -151.53 124.7 8.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.91 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.55 ' CE1' ' HB2' ' A' ' 54' ' ' SER . 85.2 m-85 -110.79 153.04 25.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.599 ' CD2' ' O ' ' A' ' 53' ' ' GLY . 20.8 p90 -136.66 137.91 40.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.943 -179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.583 ' CE2' HG12 ' A' ' 51' ' ' ILE . 2.7 m-85 -121.07 159.51 25.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.901 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -47.52 -48.04 27.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.861 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -147.39 177.64 9.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.857 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -50.74 -41.85 56.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.862 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.8 mtpp -42.61 -32.18 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.912 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.559 ' HG2' ' CD1' ' A' ' 43' ' ' TYR . 41.4 mt-10 58.46 43.54 19.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -48.97 -60.62 2.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.9 t -149.73 147.11 27.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.846 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.583 HG12 ' CE2' ' A' ' 43' ' ' TYR . 69.4 mt -72.35 128.64 35.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.108 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.502 ' HB2' ' CE1' ' A' ' 42' ' ' TYR . 25.8 mt -94.32 -48.08 6.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.599 ' O ' ' CD2' ' A' ' 42' ' ' TYR . . . -152.58 143.26 10.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.485 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.55 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 31.3 t -110.66 149.56 30.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.899 0.38 . . . . 0.0 110.808 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.56 HG12 ' CE2' ' A' ' 87' ' ' TYR . 23.1 mt -120.71 108.16 37.51 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.647 0.736 . . . . 0.0 111.112 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.505 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 54.0 Cg_endo -69.76 99.92 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.666 2.244 . . . . 0.0 112.369 179.848 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.521 HD13 ' HB2' ' A' ' 104' ' ' MET . 38.1 mt -82.53 51.28 1.82 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.92 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.3 tp -103.81 114.27 28.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.927 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 m 61.61 39.43 14.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.505 ' CE1' ' O ' ' A' ' 56' ' ' PRO . 7.6 m-85 -99.33 155.8 17.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 47.3 ttt85 -107.84 97.73 7.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 44.4 t -96.94 133.51 38.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.082 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -175.09 165.29 3.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.112 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -56.3 142.63 37.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.093 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.623 HG21 HG21 ' A' ' 71' ' ' ILE . 30.7 m -70.16 -174.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.8 mt-30 -133.59 161.45 63.68 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.586 0.707 . . . . 0.0 110.926 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 3.03 3.01 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.701 2.267 . . . . 0.0 112.359 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 7.9 m -104.88 -15.96 15.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.888 -179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.413 ' CB ' HG12 ' A' ' 71' ' ' ILE . 7.0 m-20 -84.43 29.01 0.61 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.855 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.403 ' C ' ' O ' ' A' ' 69' ' ' ASP . 5.8 t-20 36.9 34.8 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.623 HG21 HG21 ' A' ' 65' ' ' VAL . 40.5 mm -81.88 -57.07 5.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.168 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.0 m 50.31 47.98 22.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.862 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 24.0 mtp180 -146.53 124.79 12.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.893 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.9 mmtm -69.25 158.93 34.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.549 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 1.4 m-70 51.41 47.04 25.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.915 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 23.6 m -124.91 139.85 53.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.558 ' CZ ' ' HB2' ' A' ' 89' ' ' PHE . 23.7 p90 -133.99 152.29 51.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 47.0 pttt -110.52 150.95 28.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -134.06 103.89 5.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.124 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -139.64 129.33 24.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.47 ' CD2' ' C ' ' A' ' 81' ' ' HIS . 1.1 t-160 -66.0 -74.98 0.1 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.898 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.463 ' N ' ' CG ' ' A' ' 81' ' ' HIS . . . -134.94 -59.46 0.79 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.115 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -156.26 25.34 0.54 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.504 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 45.3 t -86.19 -68.98 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.8 0.333 . . . . 0.0 111.148 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 10.0 ttp180 -156.92 146.07 20.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 24.3 m -108.93 102.8 11.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.56 ' CE2' HG12 ' A' ' 55' ' ' ILE . 37.9 m-85 -83.62 118.91 24.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -102.88 141.9 34.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.558 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . 36.5 m-85 -140.19 125.47 18.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.872 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.9 t -106.82 112.92 26.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.844 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -83.39 133.38 34.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.107 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -49.09 -45.76 43.71 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.8 m -114.61 160.64 32.43 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.677 0.751 . . . . 0.0 110.849 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.549 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 53.5 Cg_endo -69.81 -29.77 23.09 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.681 2.254 . . . . 0.0 112.391 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -62.61 -39.36 93.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -68.61 -47.41 66.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.423 ' CD ' ' HA ' ' A' ' 75' ' ' HIS . 12.4 tt0 -45.22 -64.23 0.76 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -53.51 -48.9 68.58 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -49.69 -49.32 48.06 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.092 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.427 ' CE2' HD11 ' A' ' 17' ' ' LEU . 67.6 m95 -61.71 -58.34 8.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 81.4 mt -37.19 -37.31 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -87.15 -58.6 2.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -39.39 -67.3 0.23 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.521 ' HB2' HD13 ' A' ' 57' ' ' LEU . 11.6 ptp -72.5 -29.72 63.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.401 ' N ' ' HG3' ' A' ' 104' ' ' MET . . . -54.84 -53.02 42.24 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.533 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.409 ' HG3' ' N ' ' A' ' 107' ' ' ALA . 4.7 pt-20 -55.64 -42.46 75.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.851 0.358 . . . . 0.0 110.89 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.409 ' N ' ' HG3' ' A' ' 106' ' ' GLU . . . -64.37 -24.18 67.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.096 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -83.55 -42.01 17.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.086 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 8.7 ptt180 -53.84 155.21 3.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.839 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 13.3 p -137.79 146.98 26.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.135 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -86.81 81.97 7.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.7 t -110.27 -58.62 2.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.847 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 156.89 -146.56 13.98 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.464 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 123.34 10.01 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.677 2.252 . . . . 0.0 112.346 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.5 m -90.21 140.19 29.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.858 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 69.1 m 60.99 42.25 12.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.881 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.453 -179.944 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.0 t -132.45 166.83 21.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.831 0.348 . . . . 0.0 110.904 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.1 t -96.2 113.99 25.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.839 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.7 87.49 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.523 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.3 m -62.6 84.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.854 0.359 . . . . 0.0 110.866 -179.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.6 p -112.07 135.97 52.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.827 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.18 -125.2 6.76 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.509 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -154.19 116.64 4.35 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.835 0.35 . . . . 0.0 110.852 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.519 ' HB1' ' HD2' ' A' ' 10' ' ' PRO . . . -78.54 158.65 75.87 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.63 0.728 . . . . 0.0 111.066 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.519 ' HD2' ' HB1' ' A' ' 9' ' ' ALA . 53.8 Cg_endo -69.77 153.45 68.84 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.677 2.251 . . . . 0.0 112.331 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.8 p -82.54 141.18 15.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.131 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.5 m -89.92 -52.96 4.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.142 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 38.7 tttp -150.57 153.44 35.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.935 179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.465 ' HB1' HG22 ' A' ' 34' ' ' VAL . . . -157.29 137.31 12.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.087 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 179.83 169.32 39.92 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.45 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.525 ' CD2' ' HE2' ' A' ' 30' ' ' LYS . 98.4 m95 -77.77 123.4 26.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.804 0.335 . . . . 0.0 110.939 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.6 mt -133.75 131.4 39.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.926 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -79.74 115.54 19.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.893 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 17.6 tttm -91.29 126.28 36.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.417 ' OE1' ' CZ2' ' A' ' 28' ' ' TRP . 18.1 tt0 -63.67 134.66 55.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -82.31 91.61 6.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.108 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.5 m -82.1 -42.16 19.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.1 p -69.07 -54.81 13.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.9 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -79.33 -161.71 22.32 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.505 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.4 p -57.6 165.08 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.885 0.374 . . . . 0.0 111.154 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -72.09 82.83 0.98 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -147.37 177.71 9.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.93 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.424 ' CE3' ' HD3' ' A' ' 73' ' ' ARG . 21.6 m95 -125.69 136.8 53.6 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 77.5 m-20 -121.99 155.44 35.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.912 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.525 ' HE2' ' CD2' ' A' ' 16' ' ' TRP . 73.2 tttt -94.29 142.0 27.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -156.28 153.87 29.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.834 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 75.4 t-105 -85.62 114.2 22.43 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -106.61 139.82 40.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.854 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.465 HG22 ' HB1' ' A' ' 14' ' ' ALA . 71.7 t -134.99 103.73 4.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.111 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.481 HD12 ' O ' ' A' ' 39' ' ' CYS . 27.2 tp -61.76 128.27 35.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.626 HG22 ' H ' ' A' ' 37' ' ' ASP . 0.8 OUTLIER -123.11 178.74 3.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.162 179.848 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.626 ' H ' HG22 ' A' ' 36' ' ' VAL . 6.6 p-10 -45.1 115.9 1.0 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.849 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.472 ' HA ' ' HB1' ' A' ' 107' ' ' ALA . 50.0 mtt180 34.27 32.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.506 ' N ' ' O ' ' A' ' 37' ' ' ASP . 1.7 m -154.58 176.67 12.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 28.9 tp -151.87 127.5 10.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -115.02 160.44 19.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.576 ' CE2' ' HB2' ' A' ' 52' ' ' LEU . 48.6 p90 -141.26 141.21 34.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.94 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.51 ' CD2' ' HG3' ' A' ' 48' ' ' GLU . 1.4 m-85 -131.05 161.34 32.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.865 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.46 ' HG2' HD11 ' A' ' 52' ' ' LEU . 10.3 mmtp -48.46 -47.06 38.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.92 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -148.01 -178.86 6.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.407 ' O ' ' C ' ' A' ' 47' ' ' LYS . 3.1 pp20? -53.87 -43.57 69.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 46' ' ' GLU . 5.6 mmmm -36.26 -43.42 0.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.51 ' HG3' ' CD2' ' A' ' 43' ' ' TYR . 24.5 tt0 70.7 45.0 0.6 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.892 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -47.68 -61.31 2.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 58.0 p -150.44 159.47 44.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.846 -179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 72.9 mt -81.31 129.77 36.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.102 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.576 ' HB2' ' CE2' ' A' ' 42' ' ' TYR . 6.7 mt -94.4 -47.17 6.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.956 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.411 ' CA ' ' CE1' ' A' ' 42' ' ' TYR . . . -150.46 151.49 23.52 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.481 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 24.6 p -114.24 135.18 54.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.833 0.349 . . . . 0.0 110.878 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.414 ' HA ' ' HD2' ' A' ' 56' ' ' PRO . 28.9 mt -115.67 104.99 52.44 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.628 0.728 . . . . 0.0 111.121 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 55' ' ' ILE . 53.9 Cg_endo -69.75 105.28 1.46 Allowed 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.64 2.227 . . . . 0.0 112.338 179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 24.3 mt -86.68 44.54 1.17 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.886 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 14.3 tp -93.22 105.32 17.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.872 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.1 t 69.3 38.81 1.78 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.584 ' CD1' ' HB2' ' A' ' 81' ' ' HIS . 8.6 m-85 -101.87 124.84 48.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -78.42 102.12 7.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 46.3 t -96.22 128.22 47.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.058 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -174.89 151.5 1.39 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.063 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.84 143.44 1.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.087 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.619 HG11 HG13 ' A' ' 71' ' ' ILE . 14.5 m -50.39 -178.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.166 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -115.48 157.69 43.48 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.567 0.699 . . . . 0.0 110.904 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -11.74 31.45 Favored 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.692 2.261 . . . . 0.0 112.322 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 14.8 m -83.6 -33.3 25.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.861 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.03 -38.45 88.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.863 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 25.7 t30 65.5 43.96 3.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.619 HG13 HG11 ' A' ' 65' ' ' VAL . 19.6 mm -60.55 131.83 25.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.119 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.428 ' O ' ' CG ' ' A' ' 73' ' ' ARG . 8.4 t -80.49 44.66 0.72 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.848 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.428 ' CG ' ' O ' ' A' ' 72' ' ' SER . 27.1 mtp85 -161.31 134.23 6.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.869 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 23.1 mtpp -81.77 177.09 9.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.93 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.505 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 3.5 m-70 38.37 42.69 0.56 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.824 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.475 HG23 ' O ' ' A' ' 89' ' ' PHE . 24.9 m -106.13 150.05 26.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' A' ' 89' ' ' PHE . 21.8 p90 -139.82 152.49 46.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 46.7 pttt -117.96 151.32 37.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.854 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -125.59 103.02 7.63 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.059 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -120.0 130.15 54.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.584 ' HB2' ' CD1' ' A' ' 60' ' ' PHE . 1.2 t-160 -91.56 -75.05 0.49 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.856 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.513 ' H ' HG12 ' A' ' 84' ' ' VAL . . . -168.95 109.24 0.48 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 36.71 52.19 1.45 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.513 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.638 HG13 ' H ' ' A' ' 85' ' ' ARG . 2.5 p -132.78 -57.05 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.826 0.346 . . . . 0.0 111.127 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.638 ' H ' HG13 ' A' ' 84' ' ' VAL . 19.2 ttm180 -173.8 166.86 4.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.862 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.5 m -140.1 106.31 5.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.101 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 27.2 m-85 -81.78 166.57 19.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.945 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 66.1 m-85 -144.96 118.85 9.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.886 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.566 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . 34.1 m-85 -124.51 132.74 53.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 31.9 t -113.75 115.55 27.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -85.74 130.8 34.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.068 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -50.07 -44.51 51.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.1 m -112.9 153.41 45.2 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.668 0.747 . . . . 0.0 110.845 -179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.505 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 53.8 Cg_endo -69.75 -19.76 35.76 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.698 2.265 . . . . 0.0 112.316 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -73.0 -36.58 67.06 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.85 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -72.56 -45.07 61.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -44.6 -56.37 4.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.936 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -60.82 -50.23 74.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -48.97 -47.23 44.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.102 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 57.6 m95 -64.03 -58.01 7.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 74.9 mt -38.74 -39.24 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.164 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 30.8 mt-30 -83.83 -55.29 4.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.907 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -43.39 -62.9 0.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.094 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 7.1 ptp -75.62 -27.33 58.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.891 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -58.45 -51.85 56.29 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.506 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -55.86 -41.81 74.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.853 0.359 . . . . 0.0 110.863 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.472 ' HB1' ' HA ' ' A' ' 38' ' ' ARG . . . -60.56 -29.85 69.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.082 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.476 ' HB1' ' H ' ' A' ' 60' ' ' PHE . . . -87.95 -36.37 17.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -71.41 159.23 34.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 62.7 t -130.99 141.03 47.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.418 ' O ' ' C ' ' A' ' 112' ' ' SER . 50.8 mt-30 -94.63 132.56 39.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.921 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 111' ' ' GLN . 54.3 p -36.8 137.65 0.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.863 -179.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -141.58 113.68 0.85 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 0.83 5.08 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.719 2.279 . . . . 0.0 112.352 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 70.2 m -56.95 132.92 54.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.846 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.3 t -165.73 142.79 5.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.848 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.526 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.1 p -44.95 119.98 2.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.883 0.373 . . . . 0.0 110.813 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.8 m -132.27 157.78 43.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.831 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.6 -132.78 0.76 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.524 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m 44.81 42.24 5.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.93 0.395 . . . . 0.0 110.871 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.3 p -133.52 137.3 45.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.844 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 58.25 -176.12 2.11 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.485 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.2 m-80 -76.38 129.4 36.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.827 0.346 . . . . 0.0 110.909 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -101.81 148.37 35.2 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.579 0.704 . . . . 0.0 111.12 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 166.44 27.58 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.743 2.295 . . . . 0.0 112.333 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.7 p -82.4 147.53 5.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.068 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 10.9 m -92.0 -50.6 5.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.198 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 24.6 tttp -154.18 152.07 29.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.936 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -159.75 134.81 8.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.148 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -176.16 164.93 35.13 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.468 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.421 ' CH2' ' HA ' ' A' ' 45' ' ' ASP . 92.4 m95 -74.37 110.87 9.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.824 0.345 . . . . 0.0 110.952 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.461 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 12.6 mt -119.86 140.14 51.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.954 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.517 ' CZ ' ' HD2' ' A' ' 30' ' ' LYS . 11.6 m-85 -86.47 118.93 26.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.861 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.9 tttt -95.45 124.06 39.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.911 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.443 ' NE2' ' CZ2' ' A' ' 28' ' ' TRP . 3.6 tp-100 -61.0 150.94 31.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.15 98.64 11.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.148 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 44.9 t -60.52 -46.95 88.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.861 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 16.1 t -107.1 127.93 53.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 106.52 -165.97 13.64 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.6 p -53.66 163.68 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.887 0.375 . . . . 0.0 111.149 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 66.4 mttt -87.44 85.09 7.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.905 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.2 pt20 -137.15 174.06 11.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.541 ' CG ' ' HD2' ' A' ' 73' ' ' ARG . 40.2 m95 -122.34 130.43 53.13 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -107.48 122.12 45.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.517 ' HD2' ' CZ ' ' A' ' 18' ' ' PHE . 48.3 tttt -68.42 125.77 27.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.483 ' NE ' ' HA ' ' A' ' 44' ' ' LYS . 1.4 tpm_? -143.71 154.17 43.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.877 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 75.9 t-105 -83.3 117.15 22.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.938 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.461 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 37.9 m-85 -108.05 140.89 40.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.862 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 99.6 t -138.37 106.07 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.162 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.609 HD12 ' O ' ' A' ' 39' ' ' CYS . 18.4 tp -68.21 123.57 21.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.723 HG22 ' H ' ' A' ' 37' ' ' ASP . 1.1 p -117.18 -177.44 1.09 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.153 179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.723 ' H ' HG22 ' A' ' 36' ' ' VAL . 5.9 p-10 -48.16 114.88 1.02 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.533 ' HA ' ' HB1' ' A' ' 107' ' ' ALA . 37.4 mtt180 36.2 31.41 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.609 ' O ' HD12 ' A' ' 35' ' ' LEU . 1.7 m -153.57 175.62 13.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.876 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 32.5 tp -150.58 125.41 9.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.959 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -113.85 155.11 26.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.848 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.582 ' CE1' ' HB2' ' A' ' 52' ' ' LEU . 39.2 p90 -139.35 142.87 37.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 -179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.546 ' CD1' ' HG2' ' A' ' 48' ' ' GLU . 2.1 m-85 -130.93 153.8 48.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.939 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.483 ' HA ' ' NE ' ' A' ' 31' ' ' ARG . 25.1 mttm -42.47 -43.08 3.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.929 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.421 ' HA ' ' CH2' ' A' ' 16' ' ' TRP . 1.7 m-20 -151.71 -179.31 7.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.0 -17.83 19.98 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -58.96 -35.98 74.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.887 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.546 ' HG2' ' CD1' ' A' ' 43' ' ' TYR . 16.7 mt-10 55.73 42.69 28.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.912 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -54.89 -51.39 66.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 51.4 m -153.59 139.02 17.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 48.9 mt -65.54 132.17 31.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.11 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.582 ' HB2' ' CE1' ' A' ' 42' ' ' TYR . 91.9 mt -96.07 -43.85 7.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.936 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.43 ' HA3' ' CE2' ' A' ' 42' ' ' TYR . . . -150.81 150.51 22.51 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.485 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 53.0 p -119.17 126.79 52.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.842 0.353 . . . . 0.0 110.832 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.409 ' HA ' ' HD2' ' A' ' 56' ' ' PRO . 21.6 mt -104.71 104.93 48.48 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.605 0.717 . . . . 0.0 111.166 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 55' ' ' ILE . 53.0 Cg_endo -69.84 100.87 0.86 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.68 2.253 . . . . 0.0 112.301 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 38.5 mt -93.6 42.76 1.1 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 6.1 tp -59.19 -64.05 1.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 52.4 m -130.89 39.57 3.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.878 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.426 ' O ' ' HB1' ' A' ' 108' ' ' ALA . 5.6 m-85 -78.82 161.87 26.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.878 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 78.2 ttt-85 -115.08 93.99 4.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.588 HG11 ' HG3' ' A' ' 104' ' ' MET . 6.5 t -95.53 129.39 45.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.108 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 64' ' ' ALA . . . -172.26 152.03 2.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.076 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 63' ' ' ALA . . . -35.59 150.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.075 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.788 HG11 HD12 ' A' ' 71' ' ' ILE . 3.9 m -62.96 171.32 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.13 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -99.47 155.18 36.8 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-O 121.599 0.714 . . . . 0.0 110.898 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -2.59 10.45 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.645 2.23 . . . . 0.0 112.324 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 89.7 p -111.49 17.26 20.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -94.27 -43.36 8.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 74.15 52.61 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.788 HD12 HG11 ' A' ' 65' ' ' VAL . 74.5 mt -97.01 105.23 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.123 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.9 m -44.57 -39.84 5.25 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.541 ' HD2' ' CG ' ' A' ' 28' ' ' TRP . 38.1 mtp85 -68.74 137.83 54.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.818 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 75' ' ' HIS . 22.5 mtpp -90.83 -177.15 4.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.891 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.465 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 3.4 m-70 34.91 43.47 0.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.869 179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.701 ' O ' HG22 ' A' ' 65' ' ' VAL . 89.3 m -106.93 142.33 36.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.124 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.577 ' CE2' ' HB2' ' A' ' 89' ' ' PHE . 3.3 p90 -125.82 158.64 34.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 34.7 pttt -115.01 150.12 36.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -129.92 107.64 9.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.081 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -141.33 124.19 16.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.432 ' CD2' ' C ' ' A' ' 81' ' ' HIS . 2.8 t-160 -75.29 -75.25 0.18 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.843 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -175.25 110.63 0.12 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.092 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 53.37 38.94 58.36 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.49 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 41.6 t -125.02 -71.55 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.825 0.345 . . . . 0.0 111.14 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 43.8 ttt180 -167.45 155.48 9.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 17.6 m -122.44 107.73 12.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.119 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -86.36 156.6 20.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.941 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.591 ' CE1' HD11 ' A' ' 71' ' ' ILE . 46.2 m-85 -130.96 119.76 22.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.903 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.577 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 56.1 m-85 -122.27 129.07 51.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 11.5 t -110.68 133.28 53.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.804 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -105.71 133.94 49.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.131 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -56.43 -39.92 73.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 72.3 m -117.74 151.95 49.23 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.668 0.746 . . . . 0.0 110.885 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.465 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 53.1 Cg_endo -69.84 -16.18 37.1 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.642 2.228 . . . . 0.0 112.365 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -78.63 -30.81 46.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -77.99 -40.23 39.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.876 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -48.68 -55.03 12.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.923 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 -61.63 -55.43 30.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -43.12 -46.83 5.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.099 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.439 ' O ' ' C ' ' A' ' 101' ' ' ILE . 55.0 m95 -66.19 -65.34 0.69 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.929 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.439 ' C ' ' O ' ' A' ' 100' ' ' TRP . 81.8 mt -35.02 -39.06 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.1 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 -79.41 -48.37 14.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.902 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -58.0 -55.7 31.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.137 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.588 ' HG3' HG11 ' A' ' 62' ' ' VAL . 4.7 ptm -74.3 -42.94 58.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.871 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -54.32 -53.36 38.43 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.499 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.481 ' HA ' ' NE ' ' A' ' 109' ' ' ARG . 4.0 pt-20 -53.44 -43.19 67.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.884 0.373 . . . . 0.0 110.906 -179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.533 ' HB1' ' HA ' ' A' ' 38' ' ' ARG . . . -52.12 -26.72 11.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.101 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.426 ' HB1' ' O ' ' A' ' 60' ' ' PHE . . . -76.92 -41.35 43.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.137 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.481 ' NE ' ' HA ' ' A' ' 106' ' ' GLU . 0.6 OUTLIER -49.3 158.04 0.42 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.936 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 97.5 t -128.03 107.81 16.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 63.12 44.31 5.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.908 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 63.6 p -82.27 -47.29 12.59 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.845 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -128.22 125.04 4.95 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.494 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 130.76 19.99 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.689 2.26 . . . . 0.0 112.321 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 4.9 t -71.17 -54.6 10.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.816 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 86.4 p -150.51 123.71 8.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.48 179.988 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 m -103.01 114.21 28.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.878 0.37 . . . . 0.0 110.825 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 t -90.68 138.54 31.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.879 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.4 151.04 29.22 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.474 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.4 p -121.04 175.87 5.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.913 0.387 . . . . 0.0 110.856 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 65.6 m -125.35 169.77 12.0 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.867 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 8' ' ' ASN . . . 89.91 79.8 1.34 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.473 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.442 ' C ' ' O ' ' A' ' 7' ' ' GLY . 1.3 p30 -35.2 142.98 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.793 0.33 . . . . 0.0 110.929 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.725 ' HB1' ' HD2' ' A' ' 10' ' ' PRO . . . -116.62 164.81 16.98 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.613 0.721 . . . . 0.0 111.073 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.725 ' HD2' ' HB1' ' A' ' 9' ' ' ALA . 53.5 Cg_endo -69.79 167.58 24.08 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.671 2.247 . . . . 0.0 112.324 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 91.0 t -92.37 133.91 32.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.2 m -85.09 -55.11 4.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.104 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -149.65 143.69 25.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.45 ' HB1' ' CZ2' ' A' ' 32' ' ' TRP . . . -143.05 127.67 18.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.077 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -168.03 159.84 33.2 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.521 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.52 ' CE3' ' HE2' ' A' ' 30' ' ' LYS . 83.3 m95 -75.01 119.39 19.12 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.803 0.335 . . . . 0.0 110.895 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.49 HD11 ' CD2' ' A' ' 100' ' ' TRP . 29.4 mt -129.85 141.5 50.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -86.5 122.59 30.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.6 tttm -99.57 127.2 45.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -72.65 140.8 48.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.68 96.68 10.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 80.5 p -54.9 -26.4 35.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.882 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 28.3 t -122.72 136.49 54.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.846 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 120.68 -121.46 4.86 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.491 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.4 m -103.57 14.53 6.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.884 0.373 . . . . 0.0 111.087 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 55.99 36.95 28.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 27.8 pt20 -98.04 -179.64 4.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.917 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 36.6 m95 -112.76 144.84 41.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.935 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 19.5 m-80 -131.93 108.14 9.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.881 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.52 ' HE2' ' CE3' ' A' ' 16' ' ' TRP . 81.8 tttt -46.12 136.66 6.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.84 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.7 tpp180 -155.17 148.74 25.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.869 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.45 ' CZ2' ' HB1' ' A' ' 14' ' ' ALA . 67.4 t-105 -80.92 121.82 26.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.413 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 45.5 m-85 -114.22 136.36 53.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.876 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 94.5 t -133.95 97.91 2.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.166 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.611 HD12 ' O ' ' A' ' 39' ' ' CYS . 24.9 tp -58.35 132.26 53.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.872 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.739 HG22 ' H ' ' A' ' 37' ' ' ASP . 1.2 p -123.85 -176.68 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.739 ' H ' HG22 ' A' ' 36' ' ' VAL . 2.6 m-20 -55.57 114.83 2.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.4 mtm180 40.26 38.27 0.52 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.611 ' O ' HD12 ' A' ' 35' ' ' LEU . 2.0 m -166.13 175.58 8.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 27.8 tp -150.71 127.47 10.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.942 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.595 ' CE1' ' HB2' ' A' ' 54' ' ' SER . 84.3 m-85 -118.09 154.55 31.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.92 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.531 ' CE1' ' O ' ' A' ' 53' ' ' GLY . 47.6 p90 -137.59 151.22 48.12 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.945 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.467 ' CD1' ' N ' ' A' ' 43' ' ' TYR . 2.0 m-85 -129.95 158.62 39.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 15.6 tttm -47.4 -48.05 26.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.906 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.493 ' OD1' ' N ' ' A' ' 46' ' ' GLU . 5.8 t70 -151.52 166.93 29.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.882 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.493 ' N ' ' OD1' ' A' ' 45' ' ' ASP . 32.1 tt0 -44.32 -33.73 1.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -37.93 -35.46 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.911 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.426 ' OE2' ' CE1' ' A' ' 43' ' ' TYR . 18.0 mm-40 62.12 45.9 6.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.863 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 60.7 mm-40 -67.32 -57.15 7.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 67.6 m -155.71 151.1 26.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.886 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.412 HG12 ' CE2' ' A' ' 43' ' ' TYR . 85.0 mt -76.07 128.02 37.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.165 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.5 mp -88.21 -35.05 17.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.899 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.531 ' O ' ' CE1' ' A' ' 42' ' ' TYR . . . -167.92 153.08 22.04 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.595 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 12.0 p -112.3 149.99 31.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.927 0.394 . . . . 0.0 110.815 -179.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 66.3 mt -121.82 117.37 29.88 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.637 0.732 . . . . 0.0 111.103 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 125.52 12.23 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.683 2.255 . . . . 0.0 112.357 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 58' ' ' LEU . 23.3 mt -120.99 22.78 10.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.928 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 57' ' ' LEU . 1.7 tp -34.73 -69.28 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 68.0 m -129.06 7.4 5.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.848 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.587 ' CZ ' ' HB2' ' A' ' 81' ' ' HIS . 8.0 m-85 -40.68 141.94 0.5 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.901 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 21.1 ttm180 -98.36 101.31 12.72 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.872 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.775 HG21 ' HG3' ' A' ' 104' ' ' MET . 32.5 t -96.38 129.07 46.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -171.0 161.24 6.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.11 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -47.39 138.46 7.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 76' ' ' THR . 7.5 m -52.53 179.81 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.133 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 9.9 mt-30 -110.39 160.23 29.22 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.562 0.696 . . . . 0.0 110.917 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -16.37 37.54 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.71 2.273 . . . . 0.0 112.333 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.9 m -80.7 -19.82 44.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.831 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -80.9 -24.59 38.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.826 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 13.6 m120 44.07 45.89 6.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 10.9 mm -57.52 129.35 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.106 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.431 ' O ' ' CG ' ' A' ' 73' ' ' ARG . 68.3 m -79.01 46.31 0.69 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.431 ' CG ' ' O ' ' A' ' 72' ' ' SER . 51.1 mtp85 -162.46 128.72 3.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.857 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.4 mmmt -76.38 162.58 27.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.946 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.496 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 2.7 m-70 51.86 52.12 15.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.874 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.471 ' O ' HG22 ' A' ' 65' ' ' VAL . 7.1 m -117.27 145.38 44.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.099 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.585 ' CD1' ' N ' ' A' ' 77' ' ' PHE . 0.3 OUTLIER -131.79 162.47 30.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.833 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.506 ' HB3' ' CE2' ' A' ' 88' ' ' PHE . 39.7 pttt -123.96 138.81 54.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.919 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.406 ' CB ' HG22 ' A' ' 62' ' ' VAL . . . -126.47 102.92 7.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.118 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -121.04 154.48 36.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.587 ' HB2' ' CZ ' ' A' ' 60' ' ' PHE . 10.0 t-160 -101.61 162.93 12.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.477 ' H ' ' CD2' ' A' ' 81' ' ' HIS . . . -37.88 99.12 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.062 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 49.67 50.14 32.02 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.48 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.788 HG12 ' H ' ' A' ' 85' ' ' ARG . 1.3 t -135.06 -172.05 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.832 0.349 . . . . 0.0 111.115 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.788 ' H ' HG12 ' A' ' 84' ' ' VAL . 1.8 ttt-85 -41.57 161.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 4.2 m -124.3 105.52 9.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -85.76 150.81 24.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.506 ' CE2' ' HB3' ' A' ' 78' ' ' LYS . 40.6 m-85 -137.94 123.55 19.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.862 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.567 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 72.6 m-85 -121.45 140.58 51.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.861 -179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.7 t -119.84 130.83 55.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.835 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -104.86 126.61 52.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.095 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -53.05 -40.41 63.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.2 m -111.62 150.72 42.62 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.702 0.763 . . . . 0.0 110.848 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.496 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 53.9 Cg_endo -69.78 -29.97 22.93 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.713 2.275 . . . . 0.0 112.369 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -68.33 -25.53 65.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.895 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -80.71 -52.49 7.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -38.92 -59.8 0.93 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -58.69 -46.6 86.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -52.22 -45.04 65.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.088 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.49 ' CD2' HD11 ' A' ' 17' ' ' LEU . 64.1 m95 -68.9 -55.24 11.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.899 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.471 HD11 ' HB3' ' A' ' 77' ' ' PHE . 61.8 mt -43.1 -33.62 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.097 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -85.48 -51.49 6.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.933 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.81 -65.97 0.47 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.119 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.775 ' HG3' HG21 ' A' ' 62' ' ' VAL . 3.5 ptm -67.25 -27.23 67.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -63.26 -47.95 83.53 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.431 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 4.7 pt-20 -58.24 -44.13 88.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.824 0.345 . . . . 0.0 110.882 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.431 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -48.51 -33.58 9.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.495 ' CB ' ' O ' ' A' ' 60' ' ' PHE . . . -74.35 -43.19 57.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.113 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 33.0 mtp85 -44.43 149.61 0.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 12.9 p -118.9 136.34 56.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.098 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 38.5 mt-30 -124.34 131.44 53.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 20.8 m -112.36 148.7 33.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.861 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -38.55 -67.21 0.56 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.521 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 91.26 0.51 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.636 2.224 . . . . 0.0 112.343 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 74.1 m -75.97 86.32 2.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.899 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 51.7 p -51.72 161.36 0.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.867 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.505 -179.96 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 m -74.46 107.05 6.36 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.879 0.371 . . . . 0.0 110.887 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.6 m -43.69 -44.06 6.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.881 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.46 158.56 20.71 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.6 p -130.77 155.52 46.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.868 0.366 . . . . 0.0 110.86 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m 52.2 45.14 28.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.57 -68.7 0.41 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.523 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 -94.22 135.2 35.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.838 0.352 . . . . 0.0 110.889 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -139.56 147.42 52.09 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.594 0.712 . . . . 0.0 111.07 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 178.92 4.1 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.679 2.253 . . . . 0.0 112.312 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 62.2 t -102.14 138.1 27.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.152 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.6 m -84.02 -55.28 4.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.113 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 33.2 tttp -148.78 149.08 30.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -155.69 134.75 12.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.09 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.543 ' HA2' ' CZ3' ' A' ' 32' ' ' TRP . . . -176.59 163.77 33.06 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.494 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.454 ' CH2' ' HA ' ' A' ' 45' ' ' ASP . 95.0 m95 -73.57 117.31 15.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.809 0.338 . . . . 0.0 110.906 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.584 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 25.0 mt -128.2 139.67 52.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.47 ' CE2' ' HB2' ' A' ' 30' ' ' LYS . 3.6 m-85 -91.22 119.15 31.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.897 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.2 tttm -100.34 119.57 38.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -51.58 130.31 27.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.914 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.09 149.37 41.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.075 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.4 t -101.36 -62.41 1.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 88.6 p -94.02 112.47 24.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.871 -179.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 117.95 -172.9 14.58 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.544 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 33.0 m -48.32 145.22 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.903 0.382 . . . . 0.0 111.099 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 79.7 mttt -74.16 81.55 1.79 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -121.25 168.4 11.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.49 ' CD1' ' HD2' ' A' ' 73' ' ' ARG . 71.1 m95 -110.31 122.78 48.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 74.8 m-20 -107.16 122.33 46.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.47 ' HB2' ' CE2' ' A' ' 18' ' ' PHE . 21.2 tttm -68.23 126.39 29.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.7 tpp180 -142.93 150.88 40.33 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.85 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.543 ' CZ3' ' HA2' ' A' ' 15' ' ' GLY . 62.1 t-105 -81.2 123.13 28.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.943 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.584 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 38.0 m-85 -113.96 138.26 50.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.845 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 59.4 t -136.8 104.97 3.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.153 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.896 HD12 ' O ' ' A' ' 39' ' ' CYS . 21.6 tp -73.33 120.0 18.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.735 HG22 ' H ' ' A' ' 37' ' ' ASP . 1.2 p -110.34 -177.09 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.118 179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.735 ' H ' HG22 ' A' ' 36' ' ' VAL . 8.5 p-10 -43.73 115.73 0.85 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.415 ' C ' ' O ' ' A' ' 37' ' ' ASP . 52.2 mtt180 35.68 32.4 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.896 ' O ' HD12 ' A' ' 35' ' ' LEU . 4.0 m -154.06 172.12 18.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.919 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.0 tp -150.68 120.86 7.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.582 ' CE2' ' HB2' ' A' ' 54' ' ' SER . 79.7 m-85 -117.77 146.22 43.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.936 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.594 ' CE2' ' HB2' ' A' ' 52' ' ' LEU . 42.9 p90 -122.55 152.12 40.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.898 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.531 ' CD1' ' N ' ' A' ' 43' ' ' TYR . 0.5 OUTLIER -139.46 168.8 19.01 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.958 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.496 ' HD2' HD11 ' A' ' 52' ' ' LEU . 1.8 mptp? -54.07 -43.77 70.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.851 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.454 ' HA ' ' CH2' ' A' ' 16' ' ' TRP . 3.2 m-20 -156.04 -175.41 5.42 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -48.0 -32.03 6.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 48' ' ' GLU . 37.7 mttp -45.03 -34.94 2.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.89 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.52 ' HA ' ' CG ' ' A' ' 43' ' ' TYR . 12.6 pt-20 34.54 44.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.879 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -88.52 -32.38 18.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.6 t -123.42 121.56 36.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.824 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.44 HG12 ' CE2' ' A' ' 43' ' ' TYR . 97.4 mt -78.0 131.65 34.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.098 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.594 ' HB2' ' CE2' ' A' ' 42' ' ' TYR . 10.9 mt -95.33 -47.48 6.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.942 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -155.62 154.05 25.23 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.524 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.582 ' HB2' ' CE2' ' A' ' 41' ' ' PHE . 21.8 p -116.98 136.73 52.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.796 0.331 . . . . 0.0 110.876 -179.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.426 ' HA ' ' HD2' ' A' ' 56' ' ' PRO . 59.1 mt -118.87 104.88 46.21 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.602 0.715 . . . . 0.0 111.161 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.469 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 54.1 Cg_endo -69.7 93.55 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.675 2.25 . . . . 0.0 112.365 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.564 HD13 ' HB2' ' A' ' 104' ' ' MET . 84.7 mt -83.29 56.88 3.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.957 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 3.3 tp -88.05 -58.95 2.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.8 t -127.44 47.18 2.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.469 ' CE1' ' O ' ' A' ' 56' ' ' PRO . 9.5 m-85 -91.05 166.04 13.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.839 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 58.5 ttt180 -117.49 94.58 4.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 33.8 t -94.34 130.46 43.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 64' ' ' ALA . . . -175.11 148.07 0.97 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 63' ' ' ALA . . . -36.59 132.05 0.64 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.08 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.422 HG21 HG21 ' A' ' 71' ' ' ILE . 17.3 m -49.68 162.92 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.14 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -96.64 158.16 34.1 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.624 0.726 . . . . 0.0 110.93 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 1.59 4.29 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.722 2.282 . . . . 0.0 112.306 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 91.2 p -132.19 46.72 2.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -125.91 10.61 7.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.1 m120 59.92 36.74 21.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.422 HG21 HG21 ' A' ' 65' ' ' VAL . 32.5 mm -97.34 89.37 2.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.153 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 71.0 m -85.18 42.64 0.95 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.49 ' HD2' ' CD1' ' A' ' 28' ' ' TRP . 25.1 mtp85 -142.68 134.05 26.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 19.3 mtmm -80.47 158.13 25.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.505 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 3.5 m-70 58.78 46.48 14.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.635 HG23 ' O ' ' A' ' 89' ' ' PHE . 23.8 m -122.07 145.87 47.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.096 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 3.9 p90 -129.66 167.21 18.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.821 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.6 pttp -123.6 147.07 47.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.846 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -137.37 109.27 7.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.086 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.528 ' HB3' HG23 ' A' ' 86' ' ' THR . 3.0 pt-20 -135.62 148.37 48.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.889 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.414 ' CG ' ' H ' ' A' ' 82' ' ' ALA . 4.2 t-80 -79.34 -175.36 4.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.838 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.414 ' H ' ' CG ' ' A' ' 81' ' ' HIS . . . -82.33 37.72 0.52 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.104 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 125.32 47.34 0.22 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.439 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 85.0 t -130.46 -74.87 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.848 0.356 . . . . 0.0 111.153 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.403 ' HG3' ' N ' ' A' ' 86' ' ' THR . 6.1 tpm_? -157.48 151.23 24.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.528 HG23 ' HB3' ' A' ' 80' ' ' GLU . 23.6 m -103.99 140.8 37.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.17 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -121.25 155.83 33.8 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.942 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -140.15 124.63 17.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.635 ' O ' HG23 ' A' ' 76' ' ' THR . 39.2 m-85 -130.84 131.34 44.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.902 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.6 t -106.95 130.67 54.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.837 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -100.94 132.13 46.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.126 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -50.04 -46.74 53.3 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.893 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.9 m -111.46 159.82 31.64 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.663 0.744 . . . . 0.0 110.827 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.505 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 54.2 Cg_endo -69.74 -31.82 19.88 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.714 2.276 . . . . 0.0 112.359 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -61.04 -40.57 94.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 97' ' ' GLN . 6.1 mt-10 -66.18 -55.3 16.96 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 96' ' ' GLU . 10.4 tt0 -37.7 -63.78 0.44 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.93 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 48.5 mt-10 -56.27 -49.04 75.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -46.69 -50.67 17.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.081 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.573 ' CE2' HD11 ' A' ' 17' ' ' LEU . 70.8 m95 -61.51 -57.76 10.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.951 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 96.8 mt -38.93 -31.55 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.141 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 31.5 mm-40 -91.53 -51.55 5.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -49.62 -60.12 3.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.138 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.564 ' HB2' HD13 ' A' ' 57' ' ' LEU . 17.3 ptp -76.63 -35.83 57.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.869 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.435 ' N ' ' HG3' ' A' ' 104' ' ' MET . . . -56.34 -42.61 89.23 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.451 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -65.2 -38.66 91.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.862 0.363 . . . . 0.0 110.874 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -68.9 -23.62 64.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.078 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -92.3 -36.65 13.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 22.1 ptt180 -75.59 175.64 8.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.913 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 92.6 t -149.41 129.81 4.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 11.4 tp60 -137.25 124.84 22.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 21.2 t -66.38 137.74 57.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.825 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.414 ' HA3' ' HD2' ' A' ' 114' ' ' PRO . . . -103.78 -144.32 13.48 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.523 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . 0.414 ' HD2' ' HA3' ' A' ' 113' ' ' GLY . 53.7 Cg_endo -69.75 2.58 3.4 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.707 2.271 . . . . 0.0 112.345 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 37.3 p 54.76 37.22 28.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 97.6 p -84.6 -40.83 17.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.837 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.495 179.992 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.7 m -65.11 144.53 57.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.836 0.351 . . . . 0.0 110.884 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 t -87.74 99.91 12.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.873 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.01 -83.01 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.483 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 t -98.89 170.86 8.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.829 0.347 . . . . 0.0 110.878 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.3 t -106.27 -52.97 2.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.831 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.46 120.3 4.71 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.529 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 89.7 m-20 -94.73 88.68 5.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.81 0.338 . . . . 0.0 110.882 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -89.71 146.87 36.39 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.589 0.709 . . . . 0.0 111.08 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 153.87 68.35 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.663 2.242 . . . . 0.0 112.29 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.4 p -64.15 148.02 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 3.6 m -97.16 -51.47 4.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.116 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.9 tttp -152.06 146.11 25.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.424 ' HB1' ' CZ2' ' A' ' 32' ' ' TRP . . . -149.87 127.12 11.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -169.36 163.49 37.11 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.489 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.465 ' CE3' ' HE2' ' A' ' 30' ' ' LYS . 95.4 m95 -75.4 115.57 15.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.813 0.339 . . . . 0.0 110.901 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 33.8 mt -125.24 139.23 53.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 -89.89 118.81 29.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.5 tttm -96.79 127.27 42.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -66.03 134.86 53.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.915 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -64.56 128.06 34.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.081 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 89.1 p -75.74 -47.68 24.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.6 m -103.83 163.38 12.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.88 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 67.29 -167.14 40.45 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.514 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 p -46.44 164.01 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 0.0 111.084 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.4 mmtp -96.87 86.86 4.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.88 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -123.52 -177.3 3.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 65.6 m95 -123.82 126.08 45.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 35.2 m-80 -111.76 121.64 45.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.465 ' HE2' ' CE3' ' A' ' 16' ' ' TRP . 81.0 tttt -63.39 137.88 58.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.916 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 -157.71 148.34 20.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.424 ' CZ2' ' HB1' ' A' ' 14' ' ' ALA . 70.5 t-105 -79.93 117.96 21.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.931 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.607 ' HD2' HD21 ' A' ' 40' ' ' LEU . 28.8 m-85 -111.82 131.41 55.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.885 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 94.7 t -129.43 104.11 10.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.171 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.408 HD12 ' N ' ' A' ' 36' ' ' VAL . 15.0 tp -61.53 132.66 54.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.719 HG22 ' H ' ' A' ' 37' ' ' ASP . 0.8 OUTLIER -125.81 -173.41 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.139 179.855 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.719 ' H ' HG22 ' A' ' 36' ' ' VAL . 7.3 t0 -55.11 121.97 9.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.915 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.49 ' C ' ' O ' ' A' ' 37' ' ' ASP . 7.4 mtt85 30.27 38.89 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.508 ' HB3' ' CG1' ' A' ' 36' ' ' VAL . 1.6 t -168.96 171.99 7.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.853 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.607 HD21 ' HD2' ' A' ' 33' ' ' PHE . 27.5 tp -145.17 139.96 27.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -127.01 150.03 49.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.534 ' CE2' ' HA3' ' A' ' 53' ' ' GLY . 43.4 p90 -130.94 144.16 51.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.915 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.54 ' CD2' ' HA ' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -130.34 162.09 29.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.912 -179.887 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 21.3 tttm -55.36 -42.47 73.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.885 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.79 177.53 9.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.846 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -51.57 -25.46 6.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.843 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.479 ' O ' ' C ' ' A' ' 48' ' ' GLU . 20.0 mmtm -48.05 -32.28 6.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.54 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 2.4 pp20? 32.02 37.85 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.915 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.478 ' N ' ' O ' ' A' ' 47' ' ' LYS . 7.0 mm-40 -72.7 -35.4 67.61 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.892 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 83.0 p -139.02 126.54 21.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.1 mt -69.04 141.38 17.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.159 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.433 ' HB2' ' CE1' ' A' ' 42' ' ' TYR . 22.7 mt -103.54 -43.43 5.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.964 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.534 ' HA3' ' CE2' ' A' ' 42' ' ' TYR . . . -146.43 151.18 23.47 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.462 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 84.3 p -117.11 136.5 52.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.87 0.367 . . . . 0.0 110.854 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 17.5 mt -119.54 106.07 42.81 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.653 0.739 . . . . 0.0 111.123 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 97.33 0.63 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.73 2.286 . . . . 0.0 112.356 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 13.9 mt -81.02 41.91 0.61 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 58.3 tp -92.91 113.23 25.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.935 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.7 m 63.93 39.57 8.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.857 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.436 ' CD1' ' HB2' ' A' ' 81' ' ' HIS . 7.2 m-85 -103.67 142.79 33.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.821 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 39.3 ttp180 -99.21 111.67 24.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.879 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.3 t -106.43 131.54 55.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.159 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -174.25 158.75 3.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.128 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -49.43 143.43 6.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.057 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.658 HG22 ' O ' ' A' ' 76' ' ' THR . 30.3 m -66.2 -178.15 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.106 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -129.48 161.34 59.5 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.655 0.741 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 2.01 3.95 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.686 2.258 . . . . 0.0 112.336 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 2.1 t -103.34 -13.39 16.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.888 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -89.22 21.25 3.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.908 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 16.1 p30 41.02 45.64 2.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.641 HG21 HG21 ' A' ' 65' ' ' VAL . 13.4 mm -101.7 85.66 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.115 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 4.0 m -77.31 53.85 1.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.831 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 26.7 mtp85 -151.61 126.45 9.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.7 mtmt -71.68 174.54 6.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.546 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 3.9 m-70 39.16 44.4 0.97 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.658 ' O ' HG22 ' A' ' 65' ' ' VAL . 4.2 m -117.84 129.56 55.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.423 ' CZ ' ' HB2' ' A' ' 89' ' ' PHE . 13.0 p90 -120.92 159.89 24.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.474 ' HB3' HG12 ' A' ' 65' ' ' VAL . 41.3 pttt -125.76 147.06 49.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -121.09 107.42 12.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.179 179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 62.6 tt0 -131.53 136.89 48.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.841 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.484 ' C ' ' CD2' ' A' ' 81' ' ' HIS . 1.8 t-160 -98.7 -74.85 0.57 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.851 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 83' ' ' GLY . . . -164.16 105.79 0.9 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.082 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 82' ' ' ALA . . . 34.07 43.78 0.34 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.53 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.59 HG13 ' N ' ' A' ' 85' ' ' ARG . 9.5 p -121.18 -51.09 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.808 0.337 . . . . 0.0 111.112 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.59 ' N ' HG13 ' A' ' 84' ' ' VAL . 8.4 ttm180 -170.86 151.15 3.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.413 HG22 ' CE1' ' A' ' 88' ' ' PHE . 15.4 m -128.55 100.93 5.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.143 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 85.3 m-85 -85.97 160.28 19.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.917 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.413 ' CE1' HG22 ' A' ' 86' ' ' THR . 87.1 m-85 -142.42 134.46 27.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.856 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.45 ' O ' HG23 ' A' ' 76' ' ' THR . 30.3 m-85 -137.81 140.4 40.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.924 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 16.1 t -119.04 107.69 13.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -78.24 129.53 35.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -51.6 -44.86 62.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.4 m -112.3 157.31 40.35 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.663 0.744 . . . . 0.0 110.845 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.546 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 53.5 Cg_endo -69.72 -33.94 15.71 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.704 2.269 . . . . 0.0 112.322 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -62.45 -31.48 72.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -75.18 -48.58 22.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 -42.69 -65.75 0.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.957 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -53.09 -48.71 67.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -49.91 -46.25 51.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.099 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 59.6 m95 -66.84 -58.8 4.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 59.6 mt -39.23 -34.51 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -88.45 -47.01 8.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.895 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.2 -61.91 1.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 6.2 ptp -76.04 -21.8 56.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -68.73 -46.18 62.27 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.503 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.411 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 6.9 pt-20 -61.3 -43.11 99.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.851 0.358 . . . . 0.0 110.861 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.411 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -51.62 -30.65 22.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.122 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -70.14 -43.41 70.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.079 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -49.19 151.4 1.4 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.412 ' O ' ' C ' ' A' ' 111' ' ' GLN . 99.8 t -129.0 95.13 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.176 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 110' ' ' VAL . 30.6 tp60 -36.88 -55.17 0.91 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.927 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.6 t -172.2 110.53 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.85 -179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -113.79 -103.01 2.54 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.496 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -44.61 1.97 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.697 2.265 . . . . 0.0 112.325 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 13.4 t -143.1 151.15 40.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 4.0 m -44.84 160.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.89 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.521 -179.997 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 m -77.55 168.86 19.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.854 0.359 . . . . 0.0 110.896 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 t -121.42 171.91 8.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.81 137.02 13.93 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.517 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t -121.09 168.89 11.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.84 0.353 . . . . 0.0 110.87 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.6 t -78.04 153.32 32.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.61 159.31 30.45 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.441 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 39.7 42.4 0.96 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.886 0.374 . . . . 0.0 110.938 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.443 ' HB1' ' HD2' ' A' ' 10' ' ' PRO . . . -97.73 156.05 36.49 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.611 0.72 . . . . 0.0 111.075 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.443 ' HD2' ' HB1' ' A' ' 9' ' ' ALA . 53.6 Cg_endo -69.69 168.09 22.47 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.692 2.262 . . . . 0.0 112.371 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 85.3 t -96.37 131.64 42.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.113 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 1.8 m -83.85 -54.89 4.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 42.5 tttp -151.27 151.55 31.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.91 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -155.27 135.1 12.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.074 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -171.8 168.34 41.43 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.46 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.463 ' CE3' ' HE2' ' A' ' 30' ' ' LYS . 93.3 m95 -78.14 118.14 20.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.777 0.322 . . . . 0.0 110.921 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.558 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 60.2 mt -131.2 141.52 50.07 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.951 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -90.91 131.11 36.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.7 tttt -104.69 110.37 22.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.894 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -51.08 129.06 23.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.927 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.67 ' HB3' ' O ' ' A' ' 25' ' ' VAL . . . -53.56 161.8 0.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.108 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.7 t -76.1 -177.62 4.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.859 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.8 t -46.31 111.3 0.35 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 136.25 -110.65 0.81 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.49 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.681 ' O ' HG23 ' A' ' 25' ' ' VAL . 24.3 m -57.86 107.84 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.909 0.385 . . . . 0.0 111.131 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -77.61 44.66 0.45 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.929 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -112.03 147.74 35.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.935 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 30.7 m95 -98.04 145.58 26.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 59.1 m-20 -126.67 109.57 12.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.934 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.463 ' HE2' ' CE3' ' A' ' 16' ' ' TRP . 74.7 tttt -51.24 140.12 17.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.933 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.49 148.5 23.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.469 ' CD1' ' HA ' ' A' ' 46' ' ' GLU . 65.5 t-105 -81.59 123.35 28.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.911 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.558 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 50.7 m-85 -114.41 146.11 41.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 60.3 t -143.82 106.49 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.418 HD12 ' O ' ' A' ' 39' ' ' CYS . 45.2 tp -63.17 131.48 48.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.96 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.728 HG22 ' H ' ' A' ' 37' ' ' ASP . 0.9 OUTLIER -129.0 -173.73 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.152 179.86 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.728 ' H ' HG22 ' A' ' 36' ' ' VAL . 1.3 m-20 -49.32 115.49 1.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.469 ' C ' ' O ' ' A' ' 37' ' ' ASP . 12.7 mtm105 30.75 43.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.52 ' HB3' ' CG1' ' A' ' 36' ' ' VAL . 1.2 t -166.6 170.82 12.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.5 tp -143.97 123.46 13.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.93 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.534 ' CE1' ' HB2' ' A' ' 54' ' ' SER . 82.7 m-85 -110.64 149.6 30.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.7 p90 -132.49 139.94 48.15 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.934 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.566 ' CE2' HG12 ' A' ' 51' ' ' ILE . 0.3 OUTLIER -128.93 163.71 24.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.87 -179.9 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.871 ' HG2' HD11 ' A' ' 52' ' ' LEU . 0.0 OUTLIER -47.45 -43.47 24.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.926 179.898 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -153.23 -176.16 5.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.914 179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.469 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 8.9 pt-20 -50.91 -33.7 25.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -43.17 -38.36 2.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.507 ' HA ' ' CG ' ' A' ' 43' ' ' TYR . 14.6 pt-20 41.1 33.68 0.25 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -65.44 -40.13 92.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.932 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 41.5 t -133.97 139.81 46.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.566 HG12 ' CE2' ' A' ' 43' ' ' TYR . 44.5 mt -87.31 135.73 24.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.147 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.871 HD11 ' HG2' ' A' ' 44' ' ' LYS . 6.2 mt -103.34 -46.62 4.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -151.56 146.41 15.18 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.475 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.534 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 10.9 t -114.65 159.89 19.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.841 0.353 . . . . 0.0 110.883 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 29.2 mt -132.01 118.08 16.26 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.646 0.736 . . . . 0.0 111.137 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.557 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 53.6 Cg_endo -69.73 118.25 5.57 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.703 2.269 . . . . 0.0 112.315 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 57' ' ' LEU . 19.4 mt -108.8 53.3 0.69 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.912 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.446 ' O ' ' NE2' ' A' ' 81' ' ' HIS . 21.6 tp -101.15 111.15 23.28 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.912 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.5 t 60.93 26.43 16.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.637 ' N ' ' HB1' ' A' ' 108' ' ' ALA . 5.2 m-85 -76.08 158.15 32.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.904 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -110.67 93.51 4.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.58 HG11 ' SD ' ' A' ' 104' ' ' MET . 11.0 t -97.01 123.59 49.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.409 ' HA ' HG23 ' A' ' 101' ' ' ILE . . . -168.11 146.4 4.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.061 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 63' ' ' ALA . . . -36.41 139.73 0.16 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.124 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.771 HG22 ' O ' ' A' ' 76' ' ' THR . 4.4 m -50.93 179.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.117 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.453 ' CD ' ' HD2' ' A' ' 67' ' ' PRO . 5.0 mm-40 -111.05 161.86 23.2 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.647 0.737 . . . . 0.0 110.89 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.453 ' HD2' ' CD ' ' A' ' 66' ' ' GLN . 53.8 Cg_endo -69.7 -21.58 33.55 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.735 2.29 . . . . 0.0 112.378 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 83.7 p -75.03 -28.41 60.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.822 -179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -74.59 -32.9 62.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 50.13 51.01 17.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.894 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.648 HG13 HG11 ' A' ' 65' ' ' VAL . 15.7 mm -62.81 111.19 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.118 179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 10.9 t -38.59 -55.55 1.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 40.8 mtp85 -65.88 141.65 58.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.448 ' O ' ' C ' ' A' ' 75' ' ' HIS . 28.8 mttp -85.91 -177.24 6.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.938 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.448 ' C ' ' O ' ' A' ' 74' ' ' LYS . 2.6 m-70 34.54 53.26 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.849 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.771 ' O ' HG22 ' A' ' 65' ' ' VAL . 90.7 m -116.34 138.19 51.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.086 -179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.486 ' CZ ' ' HB2' ' A' ' 89' ' ' PHE . 18.3 p90 -121.15 160.7 23.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.845 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 36.4 pttt -119.43 141.73 48.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -133.72 108.92 8.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.127 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.424 ' HB3' HG23 ' A' ' 86' ' ' THR . 3.7 pm0 -128.21 156.3 43.17 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.553 ' O ' ' HB3' ' A' ' 82' ' ' ALA . 9.2 t-160 -90.16 11.98 19.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.553 ' HB3' ' O ' ' A' ' 81' ' ' HIS . . . 75.0 52.68 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 135.78 -60.53 0.63 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.487 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 46.1 t -41.19 -73.23 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.855 0.36 . . . . 0.0 111.156 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 26.9 ttm180 -162.49 155.23 19.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.903 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.424 HG23 ' HB3' ' A' ' 80' ' ' GLU . 35.6 m -112.07 131.64 55.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.127 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -106.71 139.71 40.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 51.6 m-85 -118.08 118.95 33.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.769 ' O ' HG23 ' A' ' 76' ' ' THR . 64.8 m-85 -123.32 135.08 54.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 42.5 t -112.14 132.07 55.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.827 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -104.92 126.92 52.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.121 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -48.3 -40.86 26.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.945 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.7 m -117.68 154.51 50.93 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.685 0.755 . . . . 0.0 110.849 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -26.69 27.36 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.674 2.249 . . . . 0.0 112.318 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -68.81 -35.86 77.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -72.25 -44.74 62.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.9 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 17.8 tt0 -47.13 -60.45 2.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.911 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -56.49 -49.49 74.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -49.4 -46.32 47.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.104 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 54.1 m95 -66.88 -55.08 16.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.409 HG23 ' HA ' ' A' ' 63' ' ' ALA . 81.8 mt -41.69 -34.88 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.149 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -87.12 -50.62 6.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -51.3 -57.63 8.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.1 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.58 ' SD ' HG11 ' A' ' 62' ' ' VAL . 5.2 ptp -80.28 -17.24 52.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.893 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -71.27 -43.82 54.24 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.506 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.412 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 5.0 pt-20 -66.2 -42.44 88.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.926 0.393 . . . . 0.0 110.925 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.412 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -51.85 -31.69 28.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.077 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.637 ' HB1' ' N ' ' A' ' 60' ' ' PHE . . . -70.89 -44.53 66.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.099 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 -47.32 165.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.861 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.415 ' O ' HG13 ' A' ' 110' ' ' VAL . 8.9 p -126.91 126.5 68.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.117 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -54.81 93.44 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.938 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.0 m -54.37 137.73 41.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 117.64 179.95 17.34 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.508 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 -15.9 37.03 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.662 2.241 . . . . 0.0 112.338 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 3.3 t -38.24 -55.65 1.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 37.2 p 41.7 43.19 2.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.9 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.488 179.997 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.1 t -53.39 168.53 0.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.827 0.346 . . . . 0.0 110.871 -179.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.2 m -94.27 -46.56 7.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.841 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.53 105.08 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.482 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.6 p -51.98 155.78 1.73 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.916 0.389 . . . . 0.0 110.836 -179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.0 p -158.73 156.44 29.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.843 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.12 -108.49 2.49 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.466 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -155.38 128.01 7.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.83 0.348 . . . . 0.0 110.889 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.421 ' HB1' ' HD2' ' A' ' 10' ' ' PRO . . . -97.67 155.49 37.14 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.578 0.704 . . . . 0.0 111.119 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.421 ' HD2' ' HB1' ' A' ' 9' ' ' ALA . 53.8 Cg_endo -69.75 172.42 12.66 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.658 2.239 . . . . 0.0 112.328 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.6 p -80.28 142.61 13.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.131 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 8.1 m -92.97 -47.76 6.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 21.0 tttp -154.73 158.31 39.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.929 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -162.66 132.73 4.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.098 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -171.32 163.02 35.79 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.525 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.579 ' CE3' ' HE2' ' A' ' 30' ' ' LYS . 97.4 m95 -75.62 109.5 9.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.785 0.326 . . . . 0.0 110.899 -179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.546 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 33.6 mt -118.82 140.05 50.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.88 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -89.92 120.35 31.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.2 tttm -98.47 130.23 45.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -70.01 137.47 51.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.873 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.99 171.57 7.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.053 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.5 m -84.02 177.69 8.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.6 t -39.12 157.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 104.4 -95.81 1.19 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.514 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 17.3 m -98.16 123.84 50.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.887 0.375 . . . . 0.0 111.105 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.404 ' N ' ' HD2' ' A' ' 26' ' ' LYS . 1.1 mptp? -85.18 91.16 8.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.6 pt20 -139.54 157.29 46.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.517 ' CE2' ' HD3' ' A' ' 73' ' ' ARG . 61.6 m95 -110.87 124.72 52.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.923 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -106.99 122.52 46.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.579 ' HE2' ' CE3' ' A' ' 16' ' ' TRP . 79.4 tttt -70.1 129.24 38.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -145.94 152.19 39.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.924 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.409 ' CD1' ' HA ' ' A' ' 46' ' ' GLU . 56.3 t-105 -78.98 115.18 18.5 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.937 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.546 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 41.2 m-85 -107.06 136.76 46.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.89 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 93.4 t -135.2 112.29 14.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.12 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.461 HD12 ' H ' ' A' ' 36' ' ' VAL . 32.6 tp -73.76 148.78 42.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.882 HG12 ' O ' ' A' ' 39' ' ' CYS . 8.9 p -131.62 174.01 13.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.137 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.732 ' H ' HG22 ' A' ' 36' ' ' VAL . 4.2 t0 -28.02 -73.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -132.48 52.25 2.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.882 ' O ' HG12 ' A' ' 36' ' ' VAL . 1.7 t -175.74 170.67 2.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 26.8 tp -135.31 129.82 34.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.53 ' CE2' ' HB2' ' A' ' 54' ' ' SER . 86.8 m-85 -121.35 148.71 44.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.887 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.572 ' CE1' ' HB2' ' A' ' 52' ' ' LEU . 50.6 p90 -129.36 148.15 51.25 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.574 ' CE2' HG12 ' A' ' 51' ' ' ILE . 0.4 OUTLIER -132.97 158.91 41.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.952 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.417 ' HG2' HD11 ' A' ' 52' ' ' LEU . 3.8 mmmp? -45.13 -46.48 11.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.8 p-10 -151.56 171.17 18.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.864 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.409 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 11.3 pt-20 -45.35 -35.94 3.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 63.8 mttt -42.58 -36.1 1.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.514 ' HG2' ' CG ' ' A' ' 43' ' ' TYR . 22.5 mt-10 58.34 39.13 25.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -53.44 -47.63 69.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.914 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.4 m -152.22 160.93 43.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.846 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.574 HG12 ' CE2' ' A' ' 43' ' ' TYR . 72.5 mt -93.94 128.78 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.131 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.572 ' HB2' ' CE1' ' A' ' 42' ' ' TYR . 11.4 mt -88.9 -48.19 7.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.458 ' O ' ' CE2' ' A' ' 42' ' ' TYR . . . -160.43 151.18 21.68 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.5 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.53 ' HB2' ' CE2' ' A' ' 41' ' ' PHE . 26.0 t -110.27 148.88 31.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.867 0.365 . . . . 0.0 110.821 -179.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.679 HG23 ' CZ ' ' A' ' 87' ' ' TYR . 29.9 mt -118.1 117.68 34.98 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.643 0.735 . . . . 0.0 111.095 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.585 ' O ' ' CE2' ' A' ' 60' ' ' PHE . 54.2 Cg_endo -69.75 134.19 27.42 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.686 2.258 . . . . 0.0 112.357 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.405 ' O ' ' CD1' ' A' ' 60' ' ' PHE . 48.1 mt -113.8 -29.48 7.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 57' ' ' LEU . 17.9 tp -37.17 104.04 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.909 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 5.1 t 74.69 54.81 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.781 ' H ' ' HB1' ' A' ' 108' ' ' ALA . 5.0 m-85 -122.36 145.05 48.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.833 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -95.66 96.56 9.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.843 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 44.9 t -98.82 126.87 51.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.14 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -175.33 155.46 1.87 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -43.26 137.04 2.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.11 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.88 HG21 HG21 ' A' ' 71' ' ' ILE . 33.9 m -59.8 -175.85 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.125 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.2 mt-30 -134.72 161.0 66.33 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.553 0.692 . . . . 0.0 110.94 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 0.71 5.24 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.676 2.251 . . . . 0.0 112.365 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 m -98.88 -18.57 17.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -88.34 14.58 9.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 5.3 t30 52.03 38.45 24.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.884 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.88 HG21 HG21 ' A' ' 65' ' ' VAL . 34.3 mm -95.07 85.36 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.127 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 46.0 m -84.37 39.9 0.75 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.834 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.517 ' HD3' ' CE2' ' A' ' 28' ' ' TRP . 13.7 mtp180 -128.74 122.2 30.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.842 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.06 151.51 46.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.4 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 2.5 m-70 59.55 45.97 12.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.846 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.518 HG23 ' O ' ' A' ' 89' ' ' PHE . 18.2 m -121.68 144.15 48.94 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.174 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.575 ' CZ ' ' HB2' ' A' ' 89' ' ' PHE . 19.7 p90 -132.56 159.76 38.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -117.11 147.45 42.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -133.42 105.44 6.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.145 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -142.7 132.25 23.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -74.73 -72.94 0.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -174.46 105.31 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.098 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 56.65 32.54 61.6 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.51 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.426 HG12 ' N ' ' A' ' 85' ' ' ARG . 22.9 t -116.14 -72.19 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.814 0.34 . . . . 0.0 111.171 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.426 ' N ' HG12 ' A' ' 84' ' ' VAL . 27.7 ttm180 -165.58 141.44 5.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.859 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.7 m -110.19 105.77 14.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.679 ' CZ ' HG23 ' A' ' 55' ' ' ILE . 72.3 m-85 -84.53 124.5 31.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.92 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -103.53 130.27 50.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.575 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . 55.0 m-85 -135.46 134.32 39.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.895 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 41.5 t -116.96 110.61 18.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -74.14 136.61 42.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.086 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -53.67 -41.41 66.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.917 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.1 m -121.57 157.07 57.6 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.706 0.765 . . . . 0.0 110.834 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.4 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 53.7 Cg_endo -69.77 -18.86 36.72 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.654 2.236 . . . . 0.0 112.319 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -72.45 -37.17 68.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.439 ' O ' ' C ' ' A' ' 97' ' ' GLN . 12.6 mm-40 -77.67 -47.95 17.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.874 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 96' ' ' GLU . 14.7 tt0 -34.83 -54.15 0.56 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -66.47 -46.95 74.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -47.83 -46.94 31.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.098 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.442 ' O ' ' N ' ' A' ' 102' ' ' GLN . 77.9 m95 -65.65 -61.38 2.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.924 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.413 ' C ' ' O ' ' A' ' 100' ' ' TRP . 96.6 mt -36.29 -32.89 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.132 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 100' ' ' TRP . 22.3 mt-30 -91.6 -47.28 7.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.94 -53.79 52.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 6.9 ptm -81.31 -31.94 33.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.849 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -64.57 -39.24 96.64 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.478 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.455 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 6.3 pt-20 -63.43 -45.05 92.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.842 0.353 . . . . 0.0 110.85 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.455 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -56.23 -32.17 64.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.066 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.781 ' HB1' ' H ' ' A' ' 60' ' ' PHE . . . -63.84 -46.03 86.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.073 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 26.7 mtp180 -42.76 162.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.917 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 94.9 t -128.46 124.17 61.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.122 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -143.56 135.04 26.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 19.4 m -137.39 156.76 47.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -44.14 147.32 1.29 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.477 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 175.7 7.78 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.705 2.27 . . . . 0.0 112.274 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 5.2 t -160.48 125.06 3.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.859 -179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 74.9 p -134.79 112.21 10.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.493 -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.444 -0.262 . . . . 0.0 112.444 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.9 p -83.51 44.4 0.96 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.871 0.367 . . . . 0.0 110.833 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 51.1 m -141.83 135.87 30.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.41 -115.43 4.31 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.471 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.4 t -46.33 149.82 0.7 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.845 0.355 . . . . 0.0 110.889 -179.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.5 m -122.48 149.13 44.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.851 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.37 127.3 7.22 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -67.94 134.61 51.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.804 0.335 . . . . 0.0 110.873 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.516 ' HB3' ' OD1' ' A' ' 37' ' ' ASP . . . -127.7 156.67 75.24 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.568 0.699 . . . . 0.0 111.109 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.461 ' HD2' ' HB1' ' A' ' 9' ' ' ALA . 54.2 Cg_endo -69.74 163.0 39.87 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.68 2.253 . . . . 0.0 112.391 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 6.3 p -70.55 146.68 11.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.1 m -96.55 -45.98 6.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.14 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 40.0 tttp -155.68 150.84 26.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -155.64 134.76 12.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.082 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.516 ' HA2' ' CZ3' ' A' ' 32' ' ' TRP . . . -171.6 161.03 33.2 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.503 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.473 ' CE3' ' HE2' ' A' ' 30' ' ' LYS . 90.2 m95 -73.04 106.62 4.99 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.799 0.333 . . . . 0.0 110.928 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.579 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 18.4 mt -116.97 140.28 49.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.401 ' CE2' ' HB2' ' A' ' 30' ' ' LYS . 4.0 m-85 -87.13 117.79 26.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.853 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.1 tttm -97.98 116.98 31.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.915 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -60.11 128.17 35.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -46.58 164.81 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.124 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 73.5 m -107.77 -38.94 5.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 27.0 m -61.64 178.79 0.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.838 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -41.61 -51.74 4.67 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.448 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 23.8 m -42.16 160.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.886 0.374 . . . . 0.0 111.115 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -134.56 41.88 2.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.943 179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 12.0 pt20 -104.14 154.23 19.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.909 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.447 ' CD1' ' NE ' ' A' ' 73' ' ' ARG . 37.9 m95 -94.87 137.76 33.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -122.03 102.41 8.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.473 ' HE2' ' CE3' ' A' ' 16' ' ' TRP . 61.3 tttt -45.0 127.95 6.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.879 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.3 tpp180 -145.79 147.95 32.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.516 ' CZ3' ' HA2' ' A' ' 15' ' ' GLY . 60.4 t-105 -78.51 120.54 23.37 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.926 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.579 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 30.0 m-85 -110.33 147.02 34.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 60.5 t -145.42 106.96 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.163 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.704 HD12 ' O ' ' A' ' 39' ' ' CYS . 16.4 tp -66.03 132.93 49.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.741 HG22 ' H ' ' A' ' 37' ' ' ASP . 1.5 p -124.78 -179.96 2.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.741 ' H ' HG22 ' A' ' 36' ' ' VAL . 0.8 OUTLIER -48.74 112.5 0.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.926 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.564 ' HA ' ' HB1' ' A' ' 107' ' ' ALA . 40.4 mtt85 39.13 41.02 0.55 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.704 ' O ' HD12 ' A' ' 35' ' ' LEU . 1.8 m -164.8 175.38 9.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 31.0 tp -149.01 128.06 12.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.928 -179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 62.6 m-85 -118.41 162.87 17.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 18.8 p90 -145.33 147.08 31.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.49 ' CD1' ' N ' ' A' ' 43' ' ' TYR . 0.6 OUTLIER -135.13 163.07 30.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.924 -179.935 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.6 mtmm -57.11 -36.87 71.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.427 ' HA ' ' CH2' ' A' ' 16' ' ' TRP . 20.6 t70 -155.2 170.31 22.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.863 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -47.65 -30.38 3.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.435 ' C ' ' HG2' ' A' ' 48' ' ' GLU . 33.1 mttm -49.97 -33.52 17.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.924 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.435 ' HG2' ' C ' ' A' ' 47' ' ' LYS . 12.1 pt-20 38.78 53.03 1.95 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -58.97 -56.15 25.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 30.0 t -144.68 120.15 10.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.854 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.4 HG12 ' CE2' ' A' ' 43' ' ' TYR . 69.2 mt -45.05 143.23 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.134 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.9 mt -110.71 -41.86 4.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.929 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -145.15 145.64 15.13 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.502 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 19.5 p -113.42 131.65 55.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.902 0.382 . . . . 0.0 110.863 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 69.4 mt -113.25 104.98 55.68 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.646 0.736 . . . . 0.0 111.164 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.402 ' O ' ' CZ ' ' A' ' 60' ' ' PHE . 53.8 Cg_endo -69.8 136.38 32.73 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.683 2.255 . . . . 0.0 112.344 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 26.4 mt -116.47 -16.32 10.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.716 HD11 ' OE1' ' A' ' 111' ' ' GLN . 11.0 tp -48.44 105.76 0.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.896 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.458 ' N ' ' HG3' ' A' ' 111' ' ' GLN . 5.6 t 74.38 51.82 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.831 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.582 ' CE2' ' HB2' ' A' ' 81' ' ' HIS . 5.8 m-85 -118.35 -179.54 3.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.875 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 68.9 ttt180 -134.46 96.73 3.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 47.0 t -97.67 127.95 49.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 64' ' ' ALA . . . -173.18 149.47 1.81 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 63' ' ' ALA . . . -34.69 147.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.078 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.754 HG11 HG13 ' A' ' 71' ' ' ILE . 11.2 m -54.42 173.73 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.096 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 18.9 mt-30 -102.13 161.55 23.04 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.579 0.704 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -21.09 34.04 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.718 2.279 . . . . 0.0 112.312 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 8.1 t -74.78 -35.82 62.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -67.26 -38.05 84.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.859 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 58.8 44.01 17.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.754 HG13 HG11 ' A' ' 65' ' ' VAL . 48.8 mm -58.65 90.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.135 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 71' ' ' ILE . 39.7 t -34.39 -46.88 0.28 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.447 ' NE ' ' CD1' ' A' ' 28' ' ' TRP . 4.9 mtm-85 -60.02 130.17 45.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.4 mtmm -83.14 151.86 25.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.931 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.436 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 4.1 m-70 68.24 41.5 1.9 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.879 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.728 HG21 HG21 ' A' ' 71' ' ' ILE . 64.8 m -108.85 142.54 39.29 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.101 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.552 ' CZ ' ' HB2' ' A' ' 89' ' ' PHE . 1.9 p90 -130.34 156.9 43.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.842 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 18.6 pttt -122.31 153.46 38.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -132.87 120.48 21.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.072 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.418 ' HG2' ' N ' ' A' ' 81' ' ' HIS . 42.7 tt0 -116.69 159.09 22.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.582 ' HB2' ' CE2' ' A' ' 60' ' ' PHE . 13.6 t-160 -133.87 57.67 1.8 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.839 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 81' ' ' HIS . . . 72.89 25.09 2.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.074 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.46 ' O ' ' C ' ' A' ' 84' ' ' VAL . . . 103.72 -30.88 9.41 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.457 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.504 HG23 ' O ' ' A' ' 81' ' ' HIS . 96.2 t -32.08 -62.72 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.804 0.335 . . . . 0.0 111.148 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.6 tpt180 -162.2 136.46 6.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.933 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.9 m -105.48 100.4 9.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.144 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -81.95 150.0 27.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -128.72 123.45 33.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.552 ' HB2' ' CZ ' ' A' ' 77' ' ' PHE . 43.1 m-85 -122.46 129.21 51.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.848 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 13.2 t -107.08 126.51 52.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.862 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -102.33 130.54 49.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.128 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -53.4 -44.52 68.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.921 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 4.0 m -112.22 156.92 41.29 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.65 0.738 . . . . 0.0 110.862 -179.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.436 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 54.7 Cg_endo -69.72 -33.66 16.31 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.671 2.247 . . . . 0.0 112.374 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -59.64 -38.66 81.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.925 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.433 ' O ' ' C ' ' A' ' 97' ' ' GLN . 5.7 mt-10 -69.36 -57.41 5.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 96' ' ' GLU . 11.8 tt0 -35.88 -64.35 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -53.87 -60.23 3.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.867 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -39.31 -53.89 1.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.079 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.453 ' O ' ' N ' ' A' ' 102' ' ' GLN . 61.4 m95 -57.1 -59.87 4.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.422 ' C ' ' O ' ' A' ' 100' ' ' TRP . 96.6 mt -36.06 -32.53 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.08 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 100' ' ' TRP . 6.5 mm100 -91.01 -61.31 1.69 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 102' ' ' GLN . . . -37.36 -53.3 1.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.097 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.465 ' HG3' ' N ' ' A' ' 105' ' ' GLY . 18.1 ptp -85.03 -37.22 20.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.465 ' N ' ' HG3' ' A' ' 104' ' ' MET . . . -51.4 -55.87 17.67 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.484 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.452 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 5.3 pt-20 -45.52 -46.01 13.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.86 0.362 . . . . 0.0 110.918 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.564 ' HB1' ' HA ' ' A' ' 38' ' ' ARG . . . -53.25 -31.18 42.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.119 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.549 ' HB1' ' H ' ' A' ' 60' ' ' PHE . . . -91.85 -34.33 14.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.159 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.468 ' O ' ' C ' ' A' ' 110' ' ' VAL . 1.2 mpt_? -55.1 142.16 31.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.894 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.793 HG12 ' O ' ' A' ' 110' ' ' VAL . 72.3 t 32.32 55.06 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.096 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . 0.716 ' OE1' HD11 ' A' ' 58' ' ' LEU . 0.5 OUTLIER -47.1 148.01 1.28 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.937 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 24.0 p 43.44 52.27 5.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -159.2 -164.2 14.22 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.462 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 90.77 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.674 2.249 . . . . 0.0 112.325 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 70.9 p -88.21 82.38 7.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 5.0 t 64.65 41.12 5.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.481 -179.968 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.2 t -70.81 104.54 2.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.904 0.383 . . . . 0.0 110.864 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.9 t -156.07 111.44 2.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.862 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.74 115.44 4.44 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.488 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.2 t -158.74 150.53 21.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.892 0.377 . . . . 0.0 110.897 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 82.7 p -114.39 44.49 1.7 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.807 -179.765 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 53.58 64.25 4.38 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.49 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -82.61 158.02 23.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.864 0.364 . . . . 0.0 110.875 -179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -161.42 143.71 9.03 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.563 0.697 . . . . 0.0 111.085 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 155.13 66.68 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.69 2.26 . . . . 0.0 112.343 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.496 HG23 ' CG1' ' A' ' 34' ' ' VAL . 9.9 p -91.66 136.19 25.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.092 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 29.5 m -99.57 -45.74 5.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.158 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.521 ' HE2' ' CE2' ' A' ' 100' ' ' TRP . 44.8 tttt -155.02 143.12 20.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.916 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.434 ' HB1' ' CZ2' ' A' ' 32' ' ' TRP . . . -145.26 137.54 25.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.141 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -175.07 163.35 33.46 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.469 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.407 ' CH2' ' HA ' ' A' ' 45' ' ' ASP . 92.2 m95 -81.72 116.99 21.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.813 0.339 . . . . 0.0 110.919 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.543 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 29.4 mt -124.63 172.87 8.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.915 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.573 ' CZ ' ' HD3' ' A' ' 30' ' ' LYS . 9.7 m-85 -115.71 117.49 30.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 32.8 tttm -97.21 127.04 42.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -62.81 145.82 54.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.43 111.41 22.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.084 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.424 ' O ' ' C ' ' A' ' 23' ' ' SER . 48.3 p -88.01 -33.94 18.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.852 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.424 ' C ' ' O ' ' A' ' 22' ' ' SER . 43.5 m -36.75 -69.49 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.843 -179.815 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -157.51 -89.33 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.496 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 2.8 m -37.19 135.32 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.892 0.377 . . . . 0.0 111.126 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 47.0 mmtt -85.26 83.53 7.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -137.28 179.78 6.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.949 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 70.4 m95 -129.83 120.21 24.6 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.941 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -103.1 118.93 37.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.867 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.573 ' HD3' ' CZ ' ' A' ' 18' ' ' PHE . 5.7 ttpm? -79.42 126.77 31.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.487 ' NE ' ' HA ' ' A' ' 44' ' ' LYS . 20.0 mmt-85 -138.03 164.84 28.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.434 ' CZ2' ' HB1' ' A' ' 14' ' ' ALA . 67.1 t-105 -82.45 112.62 19.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.543 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 46.5 m-85 -99.95 138.39 37.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.9 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.496 ' CG1' HG23 ' A' ' 11' ' ' VAL . 44.8 t -134.87 96.2 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.132 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.552 HD12 ' O ' ' A' ' 39' ' ' CYS . 11.9 tp -64.81 112.92 3.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.922 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.684 HG22 ' H ' ' A' ' 37' ' ' ASP . 0.9 OUTLIER -101.13 -178.48 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.11 179.832 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.684 ' H ' HG22 ' A' ' 36' ' ' VAL . 18.3 m-20 -50.51 111.25 0.51 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.432 ' HA ' ' HB1' ' A' ' 107' ' ' ALA . 24.8 mtt85 43.59 40.08 2.69 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.866 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.552 ' O ' HD12 ' A' ' 35' ' ' LEU . 1.6 m -166.05 167.13 16.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 41.2 tp -142.9 129.01 19.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.484 ' CE1' ' HB2' ' A' ' 54' ' ' SER . 96.8 m-85 -127.01 147.98 50.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.576 ' CE2' ' HB2' ' A' ' 52' ' ' LEU . 22.0 p90 -121.8 166.53 14.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.56 ' CE2' HG12 ' A' ' 51' ' ' ILE . 0.5 OUTLIER -149.94 162.42 40.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.91 -179.905 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.487 ' HA ' ' NE ' ' A' ' 31' ' ' ARG . 63.1 mttt -51.53 -31.77 25.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.893 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.407 ' HA ' ' CH2' ' A' ' 16' ' ' TRP . 0.6 OUTLIER -171.58 169.53 6.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.931 179.859 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.419 ' HA ' ' CD1' ' A' ' 32' ' ' TRP . 2.0 pp20? -41.58 -28.51 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.875 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 7.0 mtpm? -42.04 -41.72 2.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.551 ' HG2' ' CE2' ' A' ' 43' ' ' TYR . 3.9 tt0 52.56 53.32 12.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.889 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -87.78 -27.56 22.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 47.5 t -162.86 144.59 10.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.824 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.56 HG12 ' CE2' ' A' ' 43' ' ' TYR . 41.7 mt -90.64 130.57 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.112 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.701 HD22 ' N ' ' A' ' 52' ' ' LEU . 1.1 mm? -86.13 -39.36 16.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.936 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -151.8 162.69 29.79 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.475 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.484 ' HB2' ' CE1' ' A' ' 41' ' ' PHE . 30.8 p -116.59 142.27 47.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.813 0.339 . . . . 0.0 110.829 -179.687 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.407 ' HA ' ' HD2' ' A' ' 56' ' ' PRO . 47.4 mt -123.37 104.99 34.04 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.646 0.736 . . . . 0.0 111.117 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 55' ' ' ILE . 53.6 Cg_endo -69.76 135.26 30.01 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.689 2.259 . . . . 0.0 112.35 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 41.7 mt -129.55 55.6 1.76 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 2.6 tp -77.75 -68.99 0.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 95.1 p -126.01 26.26 6.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.573 ' CZ ' ' HB2' ' A' ' 81' ' ' HIS . 6.7 m-85 -60.7 175.89 0.43 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.916 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 34.7 ttt180 -127.84 95.77 4.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.724 HG11 ' SD ' ' A' ' 104' ' ' MET . 3.8 t -96.92 128.36 48.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.085 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -168.66 179.79 4.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.149 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -68.14 144.61 54.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.116 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.594 HG11 HG13 ' A' ' 71' ' ' ILE . 12.1 m -70.33 -177.2 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.118 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.496 ' HA ' ' NE2' ' A' ' 66' ' ' GLN . 2.4 mm-40 -129.91 164.98 36.72 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.532 0.682 . . . . 0.0 110.952 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.431 ' HD2' ' OE1' ' A' ' 66' ' ' GLN . 54.1 Cg_endo -69.73 -13.1 34.27 Favored 'Trans proline' 0 C--N 1.34 0.13 0 C-N-CA 122.72 2.28 . . . . 0.0 112.39 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 17.5 t -102.79 15.8 28.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.75 -17.3 17.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.869 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.1 t30 72.15 41.35 0.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.895 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.594 HG13 HG11 ' A' ' 65' ' ' VAL . 17.0 mm -91.15 -50.81 12.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.141 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 13.4 t 56.31 44.9 23.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 35.7 mtp180 -152.52 121.3 6.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.875 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -70.85 158.84 35.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.943 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.508 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 0.9 OUTLIER 59.65 36.46 22.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.819 179.893 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.679 HG23 ' O ' ' A' ' 89' ' ' PHE . 25.4 m -116.63 140.57 49.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.129 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.476 ' CE2' ' HB2' ' A' ' 89' ' ' PHE . 6.5 p90 -130.75 158.15 40.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.575 ' HB3' ' CE1' ' A' ' 88' ' ' PHE . 30.3 pttt -121.34 155.93 33.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.917 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -129.08 118.11 21.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.401 ' HB2' HG23 ' A' ' 86' ' ' THR . 7.6 tt0 -119.8 144.08 47.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.573 ' HB2' ' CZ ' ' A' ' 60' ' ' PHE . 9.5 t-80 -123.75 171.14 9.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.866 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.796 ' O ' HG23 ' A' ' 84' ' ' VAL . . . -46.62 89.9 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.101 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 81' ' ' HIS . . . 34.62 56.62 0.77 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.497 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.796 HG23 ' O ' ' A' ' 82' ' ' ALA . 89.2 t -122.3 -64.37 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.813 0.34 . . . . 0.0 111.144 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -162.98 151.9 14.72 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.858 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.401 HG23 ' HB2' ' A' ' 80' ' ' GLU . 1.9 m -116.55 101.06 8.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.173 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 35.7 m-85 -84.34 166.54 17.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.575 ' CE1' ' HB3' ' A' ' 78' ' ' LYS . 60.9 m-85 -145.07 141.68 29.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.859 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.679 ' O ' HG23 ' A' ' 76' ' ' THR . 49.2 m-85 -140.1 137.81 34.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.7 t -120.3 130.16 54.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.843 -179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -101.63 143.16 31.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.086 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -71.96 -18.54 61.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 45.1 m -131.35 150.81 77.49 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.67 0.748 . . . . 0.0 110.842 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.508 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 53.3 Cg_endo -69.85 -30.19 22.27 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.7 2.266 . . . . 0.0 112.306 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -70.99 -26.97 63.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.897 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -78.35 -46.79 19.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.43 ' CD ' ' HA ' ' A' ' 75' ' ' HIS . 11.2 tt0 -45.37 -66.75 0.36 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.401 ' O ' ' C ' ' A' ' 99' ' ' ALA . 22.9 mm-40 -50.94 -60.94 2.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.429 ' HB1' ' NZ ' ' A' ' 13' ' ' LYS . . . -38.07 -42.98 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.109 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.521 ' CE2' ' HE2' ' A' ' 13' ' ' LYS . 42.2 m95 -70.61 -55.56 8.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.871 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.424 HD11 ' HB3' ' A' ' 77' ' ' PHE . 72.1 mt -43.77 -29.13 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.125 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -90.63 -55.12 3.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -49.48 -53.12 24.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.098 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.724 ' SD ' HG11 ' A' ' 62' ' ' VAL . 3.9 ptm -80.75 -35.55 33.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.849 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.428 ' N ' ' HG2' ' A' ' 104' ' ' MET . . . -52.31 -53.03 33.39 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.46 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.488 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 8.8 pt-20 -50.96 -49.49 59.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.909 0.385 . . . . 0.0 110.9 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.488 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -47.25 -25.98 1.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.098 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -86.99 -35.07 19.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.082 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 20.1 ptt180 -85.73 157.61 20.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.886 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 78.3 t -130.08 124.51 58.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -45.26 169.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.4 m -116.31 -58.52 2.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.9 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -38.86 -88.9 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.429 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 131.36 21.03 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.629 2.219 . . . . 0.0 112.358 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.2 m -87.05 141.37 28.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.883 -179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 13.1 t -172.49 135.42 0.71 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.906 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.533 -179.935 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.6 p -143.62 150.73 39.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.945 0.402 . . . . 0.0 110.873 -179.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.1 t -124.81 42.22 3.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.808 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -132.14 83.04 0.31 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.506 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.7 m -95.23 83.33 3.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.91 0.386 . . . . 0.0 110.83 -179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.2 p -151.94 157.82 42.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.887 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 118.2 -155.63 16.02 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.511 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.7 p30 -124.66 117.03 23.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.793 0.33 . . . . 0.0 110.881 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.585 ' HB1' ' HD2' ' A' ' 10' ' ' PRO . . . -116.03 160.77 34.16 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.579 0.704 . . . . 0.0 111.074 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.585 ' HD2' ' HB1' ' A' ' 9' ' ' ALA . 53.2 Cg_endo -69.77 167.59 24.01 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.7 2.267 . . . . 0.0 112.307 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 97.1 t -95.28 138.7 20.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 71.8 m -91.18 -44.03 9.49 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.163 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.527 ' HE2' ' CE2' ' A' ' 100' ' ' TRP . 31.5 tttt -157.88 154.26 27.65 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -160.2 135.24 7.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.112 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.436 ' HA2' ' CZ3' ' A' ' 32' ' ' TRP . . . -176.16 166.26 37.26 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.463 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.58 ' CE3' ' HE2' ' A' ' 30' ' ' LYS . 93.1 m95 -78.65 118.38 20.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.791 0.329 . . . . 0.0 110.923 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.2 mt -127.29 161.77 27.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -104.69 119.93 40.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.83 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 16.4 tttt -103.02 128.46 49.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.9 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 -57.37 144.83 34.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.931 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.87 127.91 35.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.112 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 29.4 p -103.69 42.46 1.17 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.828 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.4 p -151.72 133.66 15.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 39.25 -126.25 2.06 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.489 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.467 ' O ' HG23 ' A' ' 25' ' ' VAL . 33.1 m -50.19 123.52 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.867 0.365 . . . . 0.0 111.104 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 8.2 mmmm -81.29 85.67 6.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -124.39 154.52 40.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 40.7 m95 -87.44 134.07 33.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -117.16 147.13 42.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.926 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.58 ' HE2' ' CE3' ' A' ' 16' ' ' TRP . 25.3 tttt -89.89 133.66 34.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.845 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.4 ' NE ' ' HA ' ' A' ' 44' ' ' LYS . 1.6 tpm_? -150.74 154.09 36.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.885 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.436 ' CZ3' ' HA2' ' A' ' 15' ' ' GLY . 52.7 t-105 -79.31 115.47 18.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.951 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -107.98 132.37 53.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.841 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 62.4 t -130.94 111.71 20.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.109 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.515 HD12 ' O ' ' A' ' 39' ' ' CYS . 22.2 tp -76.85 143.63 39.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.878 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.72 HG22 ' H ' ' A' ' 37' ' ' ASP . 5.4 p -126.88 174.85 9.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.121 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.72 ' H ' HG22 ' A' ' 36' ' ' VAL . 1.0 OUTLIER -29.25 -75.35 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.919 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.405 ' O ' ' SG ' ' A' ' 39' ' ' CYS . 6.3 mtm180 -128.18 50.77 2.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.619 ' C ' HG12 ' A' ' 36' ' ' VAL . 1.5 m -170.78 178.78 3.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 50.1 tp -147.42 112.54 5.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.598 ' HE1' HG11 ' A' ' 36' ' ' VAL . 51.6 m-85 -107.49 145.69 32.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.915 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.437 ' CE1' ' HB2' ' A' ' 52' ' ' LEU . 53.1 p90 -129.59 155.15 46.27 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.939 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.529 ' CD1' ' N ' ' A' ' 43' ' ' TYR . 0.3 OUTLIER -139.79 156.46 46.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.891 -179.91 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.4 ' HA ' ' NE ' ' A' ' 31' ' ' ARG . 4.5 mtpm? -47.31 -45.91 24.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -145.15 178.06 8.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.0 pp20? -48.79 -37.89 20.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.854 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.451 ' O ' ' C ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -39.01 -36.42 0.28 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.471 ' HA ' ' CG ' ' A' ' 43' ' ' TYR . 10.6 pt-20 34.41 46.73 0.18 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -75.83 -41.49 52.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.5 p -128.92 122.45 30.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.469 HG12 ' CE2' ' A' ' 43' ' ' TYR . 72.3 mt -67.09 131.51 32.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.181 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.437 ' HB2' ' CE1' ' A' ' 42' ' ' TYR . 70.2 mt -88.97 -44.15 10.62 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.915 179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -160.22 151.62 22.26 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.511 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 59.4 p -116.51 137.21 52.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.864 0.364 . . . . 0.0 110.849 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.414 ' HA ' ' HD2' ' A' ' 56' ' ' PRO . 19.0 mt -114.29 108.53 50.02 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.605 0.717 . . . . 0.0 111.129 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.509 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 53.7 Cg_endo -69.74 96.79 0.6 Allowed 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.715 2.277 . . . . 0.0 112.321 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.629 HD23 ' CG ' ' A' ' 60' ' ' PHE . 58.5 mt -84.76 50.72 1.97 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.2 tp -68.3 -60.69 2.27 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.942 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 73.3 m -132.32 42.78 3.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.812 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.668 ' HD2' ' HB1' ' A' ' 79' ' ' ALA . 3.5 m-85 -68.4 144.0 54.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.477 ' O ' ' C ' ' A' ' 62' ' ' VAL . 3.4 ptm85 -84.31 25.04 0.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.87 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.477 ' C ' ' O ' ' A' ' 61' ' ' ARG . 24.0 t -31.46 113.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.178 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -176.24 153.15 1.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -39.79 137.48 0.9 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.124 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 25.9 m -55.43 152.41 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.135 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -80.23 161.4 65.35 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.608 0.718 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.75 -6.58 18.94 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.702 2.268 . . . . 0.0 112.352 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 57.6 m -129.69 41.22 3.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.856 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -107.52 14.89 25.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 58.79 34.13 23.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.885 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 35.0 mm -97.09 139.98 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.149 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.6 m -115.71 -34.0 4.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 47.5 mtt85 -73.08 148.58 43.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.855 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 75' ' ' HIS . 23.5 mtpp -87.05 -179.65 6.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.907 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.563 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 2.2 m-70 38.1 42.87 0.51 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.847 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.515 HG23 ' O ' ' A' ' 89' ' ' PHE . 57.0 m -109.19 139.49 44.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.106 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.508 ' CD1' ' N ' ' A' ' 77' ' ' PHE . 1.0 OUTLIER -126.97 159.59 33.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 29.4 pttt -122.46 142.77 50.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.944 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.668 ' HB1' ' HD2' ' A' ' 60' ' ' PHE . . . -131.87 110.68 10.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.115 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.459 ' CB ' ' HA ' ' A' ' 86' ' ' THR . 2.2 pt-20 -137.02 141.04 42.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.937 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.476 ' HB2' ' CE1' ' A' ' 60' ' ' PHE . 25.1 t-80 -74.03 178.31 5.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.43 ' H ' ' CG ' ' A' ' 81' ' ' HIS . . . -82.07 33.08 0.38 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.105 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 140.61 48.19 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.49 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.455 ' CG2' ' HB3' ' A' ' 81' ' ' HIS . 58.9 t -133.16 -73.11 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.808 0.337 . . . . 0.0 111.125 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.482 ' HG2' ' N ' ' A' ' 86' ' ' THR . 39.6 ttt180 -167.64 159.27 11.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.482 ' N ' ' HG2' ' A' ' 85' ' ' ARG . 4.4 m -104.54 139.29 39.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -127.44 145.36 50.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -122.73 121.38 36.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.846 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.515 ' O ' HG23 ' A' ' 76' ' ' THR . 64.4 m-85 -120.42 135.01 55.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.1 t -111.99 141.53 45.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.817 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -118.06 124.66 48.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.151 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -49.32 -41.11 37.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 65.3 m -114.74 153.6 46.86 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.705 0.764 . . . . 0.0 110.828 -179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.563 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 54.2 Cg_endo -69.72 -18.6 37.09 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.662 2.242 . . . . 0.0 112.362 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -74.37 -41.56 60.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.922 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -66.93 -41.72 86.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.912 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.434 ' CD ' ' HA ' ' A' ' 75' ' ' HIS . 14.2 tt0 -51.31 -58.68 5.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.43 ' HA ' HD12 ' A' ' 101' ' ' ILE . 31.4 mm-40 -61.08 -51.54 68.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -46.57 -49.76 18.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.05 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.527 ' CE2' ' HE2' ' A' ' 13' ' ' LYS . 47.2 m95 -62.66 -56.85 13.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . 0.43 HD12 ' HA ' ' A' ' 98' ' ' GLU . 61.2 mt -42.19 -32.46 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.133 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 14.8 mt-30 -90.01 -42.14 11.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.939 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.401 ' CB ' ' HD3' ' A' ' 13' ' ' LYS . . . -55.98 -64.55 0.82 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.085 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.535 ' HB2' HD13 ' A' ' 57' ' ' LEU . 11.4 ptp -75.32 -30.25 60.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -54.55 -53.35 39.24 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.482 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.433 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 4.2 pt-20 -49.02 -44.68 41.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.843 0.354 . . . . 0.0 110.886 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.433 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -54.38 -27.62 37.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.123 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -81.28 -40.54 23.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.074 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 13.1 mtp180 -55.64 159.52 2.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 84.1 t -138.2 112.38 8.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.074 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 4.3 pm0 -47.35 151.03 0.8 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.907 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 49.3 m 62.02 42.75 9.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -103.87 -75.21 1.04 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.548 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -2.51 10.3 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.718 2.279 . . . . 0.0 112.322 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 7.6 t -162.37 159.86 25.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 7.7 t -74.93 152.25 38.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.518 -179.981 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.6 m -93.32 -55.12 3.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.938 0.399 . . . . 0.0 110.879 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.3 p -99.07 -48.42 4.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.83 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.74 164.29 26.23 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.504 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.8 p -104.89 -44.66 4.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.875 0.369 . . . . 0.0 110.877 -179.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.1 p -67.93 103.94 1.6 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.843 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.66 -101.98 1.9 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.468 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 27.4 t30 -110.17 153.62 24.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 0.0 110.836 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.435 ' HB1' ' HD2' ' A' ' 10' ' ' PRO . . . -119.42 155.78 53.73 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.574 0.702 . . . . 0.0 111.098 179.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.435 ' HD2' ' HB1' ' A' ' 9' ' ' ALA . 53.5 Cg_endo -69.76 153.82 68.47 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.664 2.242 . . . . 0.0 112.358 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 5.7 p -70.62 145.56 12.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.145 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 40.8 m -96.09 -50.62 4.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.12 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 43.4 tttp -151.95 144.2 23.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.563 ' HB2' HG13 ' A' ' 34' ' ' VAL . . . -149.83 127.91 11.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.125 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.434 ' HA2' ' CZ3' ' A' ' 32' ' ' TRP . . . -167.52 162.51 36.3 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.453 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -73.64 110.63 8.07 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.839 0.352 . . . . 0.0 110.95 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.417 ' HB2' ' CD1' ' A' ' 33' ' ' PHE . 12.6 mt -117.78 160.74 20.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.9 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.509 ' CZ ' ' HD2' ' A' ' 30' ' ' LYS . 17.6 m-85 -105.81 114.36 28.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 30.1 tttm -91.63 115.45 28.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.852 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -48.15 154.12 0.61 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.866 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.29 156.08 18.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.056 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 39.4 m -114.19 -52.5 2.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.813 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.8 t -92.85 98.16 11.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.851 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 125.79 -161.19 20.26 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.513 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.472 HG13 ' N ' ' A' ' 27' ' ' GLN . 1.4 p -56.42 167.99 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.896 0.379 . . . . 0.0 111.092 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.458 ' H ' HG22 ' A' ' 25' ' ' VAL . 39.3 mtmt -80.27 42.98 0.61 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.895 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.472 ' N ' HG13 ' A' ' 25' ' ' VAL . 28.8 pt20 -86.97 154.79 20.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.926 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 36.7 m95 -104.83 144.73 31.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.949 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -116.0 118.51 33.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.892 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.509 ' HD2' ' CZ ' ' A' ' 18' ' ' PHE . 63.8 tttt -65.19 142.09 58.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 9.6 tpp180 -164.78 145.37 7.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.434 ' CZ3' ' HA2' ' A' ' 15' ' ' GLY . 64.6 t-105 -71.09 117.96 13.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.417 ' CD1' ' HB2' ' A' ' 17' ' ' LEU . 28.5 m-85 -109.42 137.97 46.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.563 HG13 ' HB2' ' A' ' 14' ' ' ALA . 44.4 t -137.46 107.5 4.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.413 HD12 ' O ' ' A' ' 39' ' ' CYS . 5.7 tp -75.92 137.8 40.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.752 HG22 ' H ' ' A' ' 37' ' ' ASP . 1.1 p -116.39 -175.49 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.153 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.752 ' H ' HG22 ' A' ' 36' ' ' VAL . 4.3 m-20 -35.77 -73.96 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 2.5 mtt85 -129.01 53.63 1.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.413 ' O ' HD12 ' A' ' 35' ' ' LEU . 1.6 t -175.22 177.92 1.8 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.894 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 29.2 tp -144.24 122.51 12.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.949 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.41 ' CE1' ' HB3' ' A' ' 54' ' ' SER . 88.3 m-85 -114.3 147.24 39.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 43.2 p90 -129.85 144.41 51.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.91 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.516 ' CE2' HG12 ' A' ' 51' ' ' ILE . 1.3 m-85 -131.69 156.71 45.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.89 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.658 ' HG3' HD11 ' A' ' 52' ' ' LEU . 34.2 mtpt -50.08 -36.9 31.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.5 ' OD1' ' N ' ' A' ' 45' ' ' ASP . 2.0 p30 -152.41 -176.97 5.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 47' ' ' LYS . 5.4 pt-20 -62.06 -35.2 77.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.853 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.4 ' N ' ' HG3' ' A' ' 46' ' ' GLU . 26.5 mtpt -43.58 -39.11 3.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.934 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.404 ' HG2' ' CD1' ' A' ' 43' ' ' TYR . 14.2 mt-10 57.75 48.11 14.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -57.19 -51.59 68.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 21.2 t -148.53 145.94 28.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.842 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.516 HG12 ' CE2' ' A' ' 43' ' ' TYR . 77.4 mt -77.1 126.4 37.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.123 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.658 HD11 ' HG3' ' A' ' 44' ' ' LYS . 44.2 mt -90.7 -47.82 7.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.912 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -150.56 153.15 24.86 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.461 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.41 ' HB3' ' CE1' ' A' ' 41' ' ' PHE . 74.1 p -127.53 128.16 45.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.802 0.334 . . . . 0.0 110.876 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 22.4 mt -98.07 117.81 64.51 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.593 0.711 . . . . 0.0 111.166 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 119.73 6.63 Favored 'Trans proline' 0 C--O 1.232 0.215 0 C-N-CA 122.692 2.261 . . . . 0.0 112.308 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 83.3 mt -116.88 57.28 0.79 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 4.4 tp -77.46 -69.63 0.52 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.883 179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.8 t -126.42 31.32 5.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.885 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.648 ' CE1' ' ND1' ' A' ' 81' ' ' HIS . 6.3 m-85 -66.14 177.18 1.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.929 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.478 ' N ' ' O ' ' A' ' 80' ' ' GLU . 65.8 ttt180 -127.55 103.75 7.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 25.5 t -100.43 129.86 50.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.134 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -173.58 163.16 4.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.099 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -53.27 125.8 18.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.109 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.42 HG21 HG21 ' A' ' 71' ' ' ILE . 20.3 m -46.54 156.7 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.142 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.459 ' CD ' ' HD2' ' A' ' 67' ' ' PRO . 2.3 mm100 -83.29 161.67 56.43 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.626 0.727 . . . . 0.0 110.883 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.459 ' HD2' ' CD ' ' A' ' 66' ' ' GLN . 54.2 Cg_endo -69.72 -7.7 21.71 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.667 2.245 . . . . 0.0 112.386 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 74.2 m -130.86 50.82 2.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -121.5 21.47 10.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.845 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 57.6 m-20 54.81 35.83 25.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.877 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.42 HG21 HG21 ' A' ' 65' ' ' VAL . 50.7 mm -109.73 100.23 10.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.123 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 66.5 m -92.28 47.61 1.34 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.83 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 26.6 mtp180 -148.57 124.2 10.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.901 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 15.0 mttm -70.07 176.9 3.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.929 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.55 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 2.0 m-70 41.75 47.7 3.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.846 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.522 HG23 ' O ' ' A' ' 89' ' ' PHE . 21.0 m -124.28 142.35 51.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.169 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.512 ' CD1' ' N ' ' A' ' 77' ' ' PHE . 0.7 OUTLIER -130.31 159.14 37.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.895 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 36.9 pttt -126.07 150.09 48.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.892 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -115.44 103.3 10.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.491 ' OE1' ' N ' ' A' ' 82' ' ' ALA . 0.0 OUTLIER -107.93 140.07 41.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.648 ' ND1' ' CE1' ' A' ' 60' ' ' PHE . 9.3 t-160 -111.68 -4.88 14.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.491 ' N ' ' OE1' ' A' ' 80' ' ' GLU . . . 46.07 36.0 2.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.082 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -155.69 -29.37 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.49 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.661 HG13 ' H ' ' A' ' 85' ' ' ARG . 0.2 OUTLIER -126.13 -73.99 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.833 0.349 . . . . 0.0 111.173 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.661 ' H ' HG13 ' A' ' 84' ' ' VAL . 10.3 ptp180 -151.29 -175.93 5.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.869 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.467 ' N ' ' HG3' ' A' ' 85' ' ' ARG . 95.5 m -135.75 123.07 21.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.491 ' CZ ' ' HD2' ' A' ' 85' ' ' ARG . 74.0 m-85 -94.43 171.72 8.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.901 -179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.459 ' CD1' ' O ' ' A' ' 87' ' ' TYR . 30.2 m-85 -147.33 136.44 22.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.834 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.522 ' O ' HG23 ' A' ' 76' ' ' THR . 24.5 m-85 -137.81 137.51 38.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.869 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.455 ' HA ' HG23 ' A' ' 76' ' ' THR . 12.0 t -111.92 139.58 47.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.83 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -110.57 126.51 54.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.135 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -53.06 -40.41 63.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.911 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 69.2 m -117.24 153.6 49.95 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.659 0.742 . . . . 0.0 110.846 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.55 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 54.0 Cg_endo -69.76 -23.83 30.37 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.656 2.237 . . . . 0.0 112.367 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -67.91 -34.93 77.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 97' ' ' GLN . 4.1 mm-40 -77.34 -49.03 15.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.429 ' C ' ' O ' ' A' ' 96' ' ' GLU . 13.9 tt0 -36.08 -53.31 0.79 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.879 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -68.78 -46.65 68.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -46.8 -47.17 21.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.103 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 69.2 m95 -68.61 -57.01 6.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 71.5 mt -41.04 -31.03 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.094 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -91.19 -39.28 12.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.933 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -66.87 -62.96 1.17 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.109 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.444 ' HG3' ' N ' ' A' ' 105' ' ' GLY . 6.6 ptp -72.01 -30.02 64.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.444 ' N ' ' HG3' ' A' ' 104' ' ' MET . . . -63.88 -51.41 53.77 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.487 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.416 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 6.0 pt-20 -51.55 -43.53 62.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.855 0.359 . . . . 0.0 110.898 -179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.416 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -53.81 -32.25 51.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.125 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . -82.88 -37.5 24.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.079 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 28.9 mtt85 -52.13 148.39 6.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.456 ' O ' HG13 ' A' ' 110' ' ' VAL . 10.9 p -85.89 124.21 40.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 46.4 mt-30 -50.19 95.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.96 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 96.4 p -102.86 79.97 1.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 82.49 86.57 0.76 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.545 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 124.58 11.2 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.665 2.243 . . . . 0.0 112.331 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.4 p -132.33 -47.66 0.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 59.4 p -164.02 110.11 1.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.845 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.468 -179.953 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 m -60.6 124.21 19.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.89 0.376 . . . . 0.0 110.905 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.7 p -139.33 153.76 47.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.882 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 65.83 72.3 0.76 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.497 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -149.66 175.77 11.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.903 0.382 . . . . 0.0 110.859 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.7 t -98.6 126.78 44.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.895 -179.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.01 -114.79 3.54 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.502 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -79.96 120.23 23.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.874 0.368 . . . . 0.0 110.903 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.468 ' HB1' ' HD2' ' A' ' 10' ' ' PRO . . . -123.93 157.54 63.08 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.587 0.708 . . . . 0.0 111.106 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PRO . . . . . 0.468 ' HD2' ' HB1' ' A' ' 9' ' ' ALA . 54.0 Cg_endo -69.75 155.68 65.34 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.66 2.24 . . . . 0.0 112.363 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 86.4 t -43.96 139.52 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.115 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 96.7 m -87.66 -54.62 4.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.132 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' ' 35' ' ' LEU . 15.5 tttm -154.7 146.47 23.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.877 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -152.24 127.5 9.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.063 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.501 ' HA2' ' CZ3' ' A' ' 32' ' ' TRP . . . -162.42 165.93 36.32 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.446 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.483 ' CD1' ' CZ3' ' A' ' 32' ' ' TRP . 88.7 m95 -78.19 112.03 14.75 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.776 0.322 . . . . 0.0 110.93 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.42 HD11 ' CE2' ' A' ' 100' ' ' TRP . 31.8 mt -124.94 155.51 39.46 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.92 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.461 ' CE2' ' HB2' ' A' ' 30' ' ' LYS . 4.4 m-85 -101.14 131.54 47.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.3 tttm -107.37 119.72 40.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.91 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -60.37 111.82 1.71 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.918 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -44.94 142.29 1.88 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.055 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.0 p -92.4 -51.62 5.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.869 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 26.3 m -110.77 150.24 29.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.841 -179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 91.9 -159.2 25.46 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.527 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.3 p -58.49 156.26 2.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.893 0.378 . . . . 0.0 111.132 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 36.0 mtmt -86.16 87.86 7.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.904 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 18.8 pt20 -134.37 -179.06 5.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . . . . . . . . . 77.9 m95 -121.77 129.92 53.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -105.85 122.75 46.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.906 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.487 ' O ' ' NE ' ' A' ' 31' ' ' ARG . 51.4 tttt -81.87 115.0 20.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.937 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.487 ' NE ' ' O ' ' A' ' 30' ' ' LYS . 7.1 mmp_? -128.69 -176.57 3.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.834 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.501 ' CZ3' ' HA2' ' A' ' 15' ' ' GLY . 72.2 t-105 -111.06 113.81 26.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.944 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 49.9 m-85 -100.44 138.05 38.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 88.1 t -131.64 96.67 2.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.106 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.501 HD12 ' O ' ' A' ' 39' ' ' CYS . 21.5 tp -63.92 120.92 12.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.723 HG22 ' H ' ' A' ' 37' ' ' ASP . 0.9 OUTLIER -92.75 -173.51 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.878 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.723 ' H ' HG22 ' A' ' 36' ' ' VAL . 6.7 t70 -30.4 -63.33 0.14 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.85 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.6 mtm-85 -131.14 -31.56 1.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.637 ' O ' HG12 ' A' ' 36' ' ' VAL . 61.6 m -85.73 175.51 8.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.896 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 39.8 tp -133.44 143.21 48.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -136.26 168.27 19.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.637 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 47.7 p90 -141.48 165.29 27.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.919 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.637 ' CD1' ' C ' ' A' ' 42' ' ' TYR . 0.3 OUTLIER -151.24 154.53 36.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.933 -179.943 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.441 ' O ' ' CG ' ' A' ' 45' ' ' ASP . 4.3 tppt? -48.93 -40.2 29.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.95 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.441 ' CG ' ' O ' ' A' ' 44' ' ' LYS . 1.1 m-20 -163.78 178.22 8.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.434 ' O ' ' C ' ' A' ' 47' ' ' LYS . 11.0 mm-40 -44.57 -33.39 1.75 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.876 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 46' ' ' GLU . 28.5 mtmm -35.38 -43.63 0.25 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.881 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 46.47 30.99 1.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -65.76 -20.43 66.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.5 t -170.17 150.05 3.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.866 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.568 HG12 ' CE2' ' A' ' 43' ' ' TYR . 85.4 mt -87.92 121.27 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.165 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.8 mp -77.24 -30.98 54.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.928 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.493 ' O ' ' CG2' ' A' ' 51' ' ' ILE . . . -159.05 178.28 35.28 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 179.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.6 t -136.49 146.59 46.44 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.82 0.343 . . . . 0.0 110.82 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.431 ' HA ' ' HD2' ' A' ' 56' ' ' PRO . 19.3 mt -136.48 105.07 9.22 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.634 0.73 . . . . 0.0 111.139 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.596 ' O ' ' CE1' ' A' ' 60' ' ' PHE . 53.6 Cg_endo -69.77 123.77 10.42 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.619 2.212 . . . . 0.0 112.365 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 12.3 mt -104.08 51.99 0.77 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.89 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 25.8 tp -108.13 109.26 20.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.593 ' O ' ' CD2' ' A' ' 81' ' ' HIS . 3.3 t 73.46 25.0 2.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.846 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.836 ' CZ ' HG11 ' A' ' 84' ' ' VAL . 8.3 m-85 -86.38 142.19 28.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.854 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 -98.43 91.1 5.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.857 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.621 HG21 ' HG3' ' A' ' 104' ' ' MET . 13.8 t -94.86 123.76 47.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.153 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 64' ' ' ALA . . . -166.01 146.88 6.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.116 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 63' ' ' ALA . . . -35.75 131.38 0.53 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.115 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.5 m -54.42 162.96 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 25.8 mt-30 -101.55 159.75 28.53 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.587 0.708 . . . . 0.0 110.914 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 -10.38 28.44 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.705 2.27 . . . . 0.0 112.361 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 34.3 t -109.51 22.25 15.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.879 -179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -105.3 9.82 33.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 54.61 37.17 27.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 43.0 mm -99.89 96.79 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.127 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 9.8 m -81.82 56.5 3.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 19.6 mtp85 -159.4 141.06 13.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -87.62 174.57 8.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.898 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.563 ' CE1' ' HB3' ' A' ' 94' ' ' PRO . 3.3 m-70 42.13 53.52 4.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.838 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.439 HG23 ' O ' ' A' ' 89' ' ' PHE . 43.2 m -124.71 147.06 48.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.148 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.574 ' CE2' ' HB2' ' A' ' 89' ' ' PHE . 3.5 p90 -132.31 153.8 50.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.593 ' HB3' ' CD2' ' A' ' 88' ' ' PHE . 32.4 pttt -121.68 142.14 50.45 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -122.11 103.99 9.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.091 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.716 ' HB2' HG23 ' A' ' 86' ' ' THR . 1.4 tm-20 -127.1 148.8 50.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.876 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . 0.687 ' HB3' HG12 ' A' ' 84' ' ' VAL . 12.2 t-160 -119.78 153.23 36.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.836 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.57 -5.77 12.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.076 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -138.0 -2.05 2.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.516 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.836 HG11 ' CZ ' ' A' ' 60' ' ' PHE . 0.3 OUTLIER -116.83 -170.55 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.873 0.368 . . . . 0.0 111.104 -179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.792 ' N ' HG13 ' A' ' 84' ' ' VAL . 0.4 OUTLIER -85.45 170.69 12.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.716 HG23 ' HB2' ' A' ' 80' ' ' GLU . 62.3 m -106.12 104.88 14.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.153 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.492 ' CE1' ' HB3' ' A' ' 85' ' ' ARG . 1.8 m-85 -95.02 163.66 13.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.949 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.593 ' CD2' ' HB3' ' A' ' 78' ' ' LYS . 82.3 m-85 -139.11 154.41 48.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.574 ' HB2' ' CE2' ' A' ' 77' ' ' PHE . 55.1 m-85 -153.06 123.88 7.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 11.4 t -103.95 138.23 40.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -108.68 132.48 53.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.104 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -62.7 -33.92 76.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.934 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 38.5 m -116.68 148.69 42.49 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.67 0.747 . . . . 0.0 110.887 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' PRO . . . . . 0.563 ' HB3' ' CE1' ' A' ' 75' ' ' HIS . 53.7 Cg_endo -69.78 -22.62 31.74 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.711 2.274 . . . . 0.0 112.312 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -73.52 -24.66 60.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -82.71 -50.11 9.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.415 ' CD ' ' HA ' ' A' ' 75' ' ' HIS . 18.8 tt0 -41.65 -63.43 0.71 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -55.75 -50.1 71.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.847 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -48.15 -42.24 28.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.471 ' O ' ' N ' ' A' ' 102' ' ' GLN . 71.6 m95 -70.07 -61.52 1.75 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.919 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ILE . . . . . . . . . . . . . 98.5 mt -37.23 -29.57 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.111 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.471 ' N ' ' O ' ' A' ' 100' ' ' TRP . 27.8 mt-30 -91.27 -48.71 6.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.926 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -57.69 -61.82 2.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.083 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.621 ' HG3' HG21 ' A' ' 62' ' ' VAL . 5.3 ptm -71.49 -32.18 67.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.883 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -61.06 -51.49 58.11 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.536 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.421 ' CG ' ' N ' ' A' ' 107' ' ' ALA . 6.0 pt-20 -55.93 -43.57 77.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.846 0.355 . . . . 0.0 110.855 -179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.421 ' N ' ' CG ' ' A' ' 106' ' ' GLU . . . -56.55 -31.72 64.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.156 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . 0.528 ' HB1' ' H ' ' A' ' 60' ' ' PHE . . . -79.63 -39.08 32.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.083 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -78.45 161.36 27.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.875 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 98.8 t -123.69 148.85 27.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -118.32 139.08 51.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 19.3 t -129.88 147.58 51.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.877 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -152.38 69.51 0.3 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.482 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -6.38 18.47 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.68 2.253 . . . . 0.0 112.313 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 24.2 m -96.35 41.15 1.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' SER . . . . . . . . . . . . . 89.8 p -69.63 134.37 48.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.821 -179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.468 179.986 . . . . . . . . 0 0 . 1 stop_ save_