data_2ee0_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 2ee0 _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 ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.86 0.275 . . . . 0.0 112.331 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.2 p -138.35 134.53 43.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -76.56 152.61 35.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.0 tttp -57.34 -51.55 68.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -145.79 130.09 17.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -45.53 -63.69 2.65 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.478 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.03 142.74 51.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.814 0.34 . . . . 0.0 110.944 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.8 t -142.25 141.43 28.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -102.83 134.08 46.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.5 m -127.0 155.06 37.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.156 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.431 ' O ' ' CG ' ' A' ' 22' ' ' HIS . 39.4 p-80 -125.98 105.8 9.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.465 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 0.8 OUTLIER -129.72 138.3 32.82 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.626 0.727 . . . . 0.0 111.127 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.465 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.6 Cg_endo -69.74 140.72 43.44 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.729 2.286 . . . . 0.0 112.34 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.426 ' C ' ' OE1' ' A' ' 25' ' ' GLU . 1.6 pp20? -57.74 -37.52 73.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 27' ' ' ALA . 46.3 t30 -77.79 -3.11 39.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 26' ' ' ASN . . . -34.41 143.29 0.21 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.603 0.716 . . . . 0.0 111.098 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 143.09 49.41 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.689 2.259 . . . . 0.0 112.301 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.7 t -66.94 128.41 30.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 109.37 6.0 29.64 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.521 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.7 m -79.48 141.12 37.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.789 0.328 . . . . 0.0 111.162 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 77.6 p -90.15 105.48 17.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.9 t -69.83 -68.23 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.8 tt -142.35 145.14 23.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.7 tp60 -122.73 124.36 43.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.934 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.0 mt -100.06 115.28 29.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -104.02 104.99 15.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -134.62 90.27 2.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.108 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.5 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.121 -179.888 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.421 ' C ' ' HD2' ' A' ' 50' ' ' ARG . 93.2 mt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.809 0.338 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.442 ' HD2' ' N ' ' A' ' 50' ' ' ARG . 0.3 OUTLIER -106.26 135.0 48.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.861 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.524 ' CE2' ' C ' ' A' ' 71' ' ' THR . 49.0 m-85 -107.04 108.85 20.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 15.7 pt -104.67 174.44 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.104 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -82.36 136.16 35.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -60.14 -160.56 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.508 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.63 150.12 21.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.751 0.31 . . . . 0.0 111.097 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 60.17 46.94 9.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.936 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 79.7 t -107.77 118.37 55.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.09 148.72 60.04 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.634 0.73 . . . . 0.0 111.068 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -40.28 5.49 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.685 2.257 . . . . 0.0 112.375 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.91 -43.31 59.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.113 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 56.9 m -61.44 -35.7 78.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.167 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -65.18 -36.46 84.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -80.02 -48.93 12.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 67.4 mt -56.83 -41.05 77.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.465 ' CZ ' HD22 ' A' ' 80' ' ' LEU . 87.4 m-85 -117.91 131.55 56.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.16 114.61 26.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.096 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.5 tp -103.29 115.16 30.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -71.35 119.29 15.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.441 ' N ' ' OD1' ' A' ' 69' ' ' ASN . 0.7 OUTLIER -84.58 18.33 2.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.929 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.52 -26.07 3.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.116 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.524 ' C ' ' CE2' ' A' ' 51' ' ' TYR . 18.3 p -125.58 -23.91 3.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.133 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.518 ' N ' ' CD2' ' A' ' 51' ' ' TYR . . . 79.52 25.01 59.63 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.496 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.429 HD11 ' N ' ' A' ' 74' ' ' ILE . 6.4 tp -93.13 135.54 34.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.809 0.337 . . . . 0.0 110.92 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.429 ' N ' HD11 ' A' ' 73' ' ' LEU . 85.2 mt -106.95 122.95 61.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 65.1 p -136.54 150.16 48.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 78.4 t -56.14 123.34 6.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.161 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -101.24 -36.59 8.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 31.8 mtp85 -151.72 161.63 42.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.4 m -52.92 141.05 22.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.465 HD22 ' CZ ' ' A' ' 65' ' ' PHE . 6.6 mt -103.56 168.67 9.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -132.6 123.42 26.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -77.86 -47.01 19.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -44.36 -46.47 9.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -69.89 -68.79 0.39 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 10.1 t -120.58 139.93 52.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.153 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -103.25 -42.05 5.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.105 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.407 HG21 ' N ' ' A' ' 88' ' ' HIS . 75.3 mt -115.21 134.84 57.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.118 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.407 ' N ' HG21 ' A' ' 87' ' ' ILE . 28.8 m-70 -113.25 118.78 35.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 48.7 mttt -109.26 104.32 13.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 91.2 t -117.73 135.62 57.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.19 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 14.1 m -112.2 138.88 48.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.181 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.423 HG11 ' N ' ' A' ' 93' ' ' LEU . 96.4 t -114.41 140.17 36.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.171 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.423 ' N ' HG11 ' A' ' 92' ' ' VAL . 62.0 mt -124.34 121.48 35.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -106.22 116.45 31.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 9.4 p . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.778 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.465 -0.166 0 CA-C-O 120.816 0.257 . . . . 0.0 112.361 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -93.29 142.45 27.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.105 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 27.7 ptt85 -102.13 142.41 33.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.821 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -142.19 127.91 19.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.081 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 19.2 m -93.8 145.48 24.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 87.0 t -141.48 114.48 4.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.1 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 6.6 m -100.46 125.01 46.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.176 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 12.0 mt -115.35 110.47 32.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -87.76 126.14 34.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 88.3 t -86.93 121.65 37.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.127 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 59.4 p -102.65 144.91 30.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.16 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -54.65 170.27 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.125 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.143 0 CA-C-O 120.841 0.267 . . . . 0.0 112.351 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.9 m -109.2 135.31 48.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.126 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.55 ' CE2' ' HB2' ' A' ' 104' ' ' ALA . 12.5 m-85 -87.5 129.68 34.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.428 ' HD3' ' CG ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -42.89 -33.69 0.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.428 ' CG ' ' HD3' ' A' ' 15' ' ' LYS . 9.6 mm-40 -149.25 138.88 21.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -78.9 -60.64 2.54 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.461 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -117.97 118.92 33.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.855 0.36 . . . . 0.0 110.926 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 18.9 t -132.16 118.94 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.091 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -94.48 122.35 36.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.445 HG21 ' CG1' ' A' ' 33' ' ' VAL . 27.4 m -116.27 149.1 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.109 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.49 ' O ' ' CG ' ' A' ' 22' ' ' HIS . 17.4 p-80 -114.0 117.89 32.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.473 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 2.3 tt -138.49 137.1 19.71 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.648 0.737 . . . . 0.0 111.078 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.473 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.8 Cg_endo -69.74 159.92 51.63 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.348 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -76.97 -22.61 52.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -96.79 16.92 17.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.874 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.96 143.97 50.1 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.555 0.693 . . . . 0.0 111.073 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 143.66 51.66 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.682 2.254 . . . . 0.0 112.341 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 64.0 t -67.19 130.77 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.79 14.37 29.58 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.49 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 32.1 m -83.86 143.22 30.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.756 0.313 . . . . 0.0 111.165 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 58.0 p -89.02 106.56 18.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.445 ' CG1' HG21 ' A' ' 21' ' ' VAL . 44.2 t -75.87 -68.66 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.15 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.0 tt -137.36 152.44 27.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 40.6 tp60 -116.73 127.91 54.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.5 mt -111.4 109.69 19.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.952 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -106.78 116.59 32.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -119.01 127.21 53.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.1 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.6 p . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.152 -179.868 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.402 ' CG2' ' HB3' ' A' ' 94' ' ' ALA . 28.0 mt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.837 0.351 . . . . 0.0 111.101 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 12.7 mmt85 -98.03 137.42 36.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.585 ' CD2' ' CA ' ' A' ' 72' ' ' GLY . 10.2 m-85 -107.21 115.8 30.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 12.7 pt -124.66 158.92 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.178 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.489 ' CD2' ' HG2' ' A' ' 62' ' ' LYS . 76.3 m-85 -66.96 136.33 55.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.79 -165.36 0.38 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.459 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -91.62 151.14 20.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.732 0.301 . . . . 0.0 111.127 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 20.5 mp0 59.44 43.85 15.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 88.1 t -97.53 116.2 39.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -45.85 143.94 3.01 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.588 0.709 . . . . 0.0 111.084 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -45.09 1.71 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.702 2.268 . . . . 0.0 112.322 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.59 -33.79 56.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.103 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 93.2 m -70.4 -63.94 0.99 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.489 ' HG2' ' CD2' ' A' ' 53' ' ' PHE . 18.5 mtmt -37.63 -32.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.5 ttt85 -82.92 -66.03 0.94 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 34.6 mt -39.19 -39.84 0.66 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -113.58 142.75 45.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -110.92 118.28 35.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.083 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.7 tp -106.2 107.06 17.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -67.06 132.34 47.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -92.51 5.8 49.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.2 p -116.2 -26.05 7.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 21.3 p -117.38 -17.3 10.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.194 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.585 ' CA ' ' CD2' ' A' ' 51' ' ' TYR . . . 64.46 27.3 71.56 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.456 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.8 tp -104.99 133.27 50.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.725 0.298 . . . . 0.0 110.922 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 97.4 mt -98.11 128.79 49.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.134 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 61.5 p -135.31 170.97 15.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 42.4 t -90.68 122.66 42.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.102 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -95.14 -44.05 7.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 36.1 mtt-85 -133.88 163.41 29.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.1 t -53.25 154.21 3.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.1 mt -113.63 160.14 18.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -123.72 139.41 54.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.818 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -96.66 -26.51 15.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -75.21 -10.69 59.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -102.69 -64.01 1.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.419 HG21 ' CE1' ' A' ' 88' ' ' HIS . 10.2 t -129.87 109.87 11.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.158 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.35 -42.3 62.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.066 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 5.3 mp -113.66 138.54 43.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.093 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.419 ' CE1' HG21 ' A' ' 85' ' ' THR . 24.8 m-70 -113.46 112.96 24.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -101.77 111.97 24.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 60.4 t -130.36 124.71 58.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.156 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 23.0 m -105.41 126.82 52.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.436 ' CG1' ' HB3' ' A' ' 51' ' ' TYR . 49.0 t -102.16 134.63 42.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 14.9 mt -108.78 137.03 47.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.402 ' HB3' ' CG2' ' A' ' 49' ' ' ILE . . . -112.69 101.03 9.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.067 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 42.7 t . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.786 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.465 -0.169 0 CA-C-O 120.785 0.244 . . . . 0.0 112.376 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -87.17 151.9 22.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 12.0 mmt85 -114.65 134.51 55.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.55 ' HB2' ' CE2' ' A' ' 14' ' ' PHE . . . -150.19 116.51 5.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 59.1 m -102.41 127.63 49.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 94.0 t -109.68 101.18 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 5.4 m -75.19 102.94 5.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.136 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 30.4 mt -101.21 111.97 32.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.153 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -90.93 136.99 32.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 46.0 t -102.5 116.65 46.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.082 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 1.5 p -100.85 170.42 8.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.154 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -81.77 163.1 22.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 25.5 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.133 0 CA-C-O 120.81 0.254 . . . . 0.0 112.317 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 71.4 t -102.53 124.1 56.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.461 ' CE1' ' HB3' ' A' ' 36' ' ' LEU . 10.8 m-85 -93.39 111.9 23.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 16' ' ' GLU . 18.1 tptm -64.54 134.11 53.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 15' ' ' LYS . 14.0 pt-20 34.79 53.78 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -44.79 -47.29 9.26 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.494 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.403 ' C ' HG22 ' A' ' 19' ' ' VAL . 18.8 mp0 -79.52 119.84 23.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.349 . . . . 0.0 110.886 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.441 ' CG1' ' N ' ' A' ' 20' ' ' GLU . 73.3 t -149.73 157.85 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.481 ' CG ' ' ND2' ' A' ' 109' ' ' ASN . 20.8 tt0 -124.65 109.71 13.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.5 m -100.91 163.38 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.146 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 69.9 m80 -125.78 106.62 9.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.475 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 7.5 tt -128.74 136.12 28.66 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.68 0.752 . . . . 0.0 111.106 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.475 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.8 Cg_endo -69.73 145.4 57.2 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.663 2.242 . . . . 0.0 112.365 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -61.38 -29.53 69.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -92.53 14.25 17.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.34 142.73 10.58 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.64 0.734 . . . . 0.0 111.055 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 136.49 32.96 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.669 2.246 . . . . 0.0 112.307 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.7 t -61.42 140.67 18.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.85 0.09 59.04 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.524 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 32.1 m -78.7 141.52 37.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.842 0.353 . . . . 0.0 111.115 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 58.2 p -76.71 109.13 10.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.817 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.7 t -78.7 -69.35 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.142 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.7 tp -136.05 146.3 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 38.6 tp60 -128.05 126.91 42.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.461 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . 18.6 mt -100.45 146.62 26.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.401 ' NE2' HG22 ' A' ' 39' ' ' THR . 14.8 t-160 -113.52 111.17 21.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -123.02 110.38 15.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.114 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.401 HG22 ' NE2' ' A' ' 37' ' ' HIS . 42.7 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.112 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 86.4 mt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.809 0.338 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -102.81 117.24 34.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.442 ' HB3' ' CG1' ' A' ' 92' ' ' VAL . 0.9 OUTLIER -80.09 159.24 26.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 -179.847 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 12.3 pt -153.04 173.89 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -75.86 126.76 31.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.809 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -66.54 -158.51 0.66 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -95.79 156.83 16.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.76 0.314 . . . . 0.0 111.125 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 61.85 38.32 14.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.1 t -102.04 127.83 55.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.171 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.92 152.28 95.02 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.637 0.732 . . . . 0.0 111.084 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -46.8 1.07 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.668 2.245 . . . . 0.0 112.355 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.57 -36.58 64.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.061 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 93.2 m -68.83 -25.15 64.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.162 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -75.87 -37.74 58.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 33.2 ttt180 -82.79 -55.3 4.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 46.1 mt -50.05 -36.14 27.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.472 ' CZ ' HD21 ' A' ' 80' ' ' LEU . 75.7 m-85 -116.38 137.42 52.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.81 116.98 33.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 tp -109.65 105.89 15.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 -65.97 118.67 10.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 28.9 m120 -83.3 5.77 22.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 88.4 m -106.78 -27.86 10.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.401 ' C ' ' CE1' ' A' ' 51' ' ' TYR . 43.4 p -126.73 -27.02 3.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.68 11.46 71.05 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.485 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 20.0 tp -87.01 116.61 25.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.764 0.316 . . . . 0.0 110.904 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 84.2 mt -88.9 122.36 40.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.158 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 41.3 p -127.91 152.7 47.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 70.9 t -57.96 109.56 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.145 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -83.71 -39.65 19.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 58.0 mtt-85 -148.33 169.55 19.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.0 m -58.09 133.3 55.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.826 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.472 HD21 ' CZ ' ' A' ' 65' ' ' PHE . 10.2 mt -95.17 164.83 12.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.892 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.51 126.68 31.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.44 ' HD2' ' CG1' ' A' ' 110' ' ' VAL . 8.5 ttt-85 -86.35 -23.48 26.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -56.79 -44.88 82.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -75.63 -61.46 1.91 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.504 ' CG2' ' CE1' ' A' ' 88' ' ' HIS . 6.0 t -138.67 132.12 30.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.136 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -94.64 -34.04 12.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.092 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 81.3 mt -103.68 121.07 54.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.152 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.504 ' CE1' ' CG2' ' A' ' 85' ' ' THR . 42.7 m-70 -108.8 118.2 36.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -108.94 111.93 23.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 97.1 t -119.46 120.8 64.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.139 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 57.1 m -101.14 133.51 45.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.442 ' CG1' ' HB3' ' A' ' 51' ' ' TYR . 93.6 t -116.27 130.95 70.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.128 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 11.5 mt -110.9 123.99 51.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -102.01 128.8 48.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.814 -179.759 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.136 0 CA-C-O 120.787 0.245 . . . . 0.0 112.369 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -100.7 118.26 36.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -91.0 133.17 35.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.439 ' HB2' ' CD2' ' A' ' 14' ' ' PHE . . . -136.0 124.5 23.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 35.5 m -99.28 142.48 30.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.184 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 84.1 t -134.28 115.42 20.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.9 m -86.73 128.54 35.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.168 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 53.0 mt -117.48 106.38 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.481 ' ND2' ' CG ' ' A' ' 20' ' ' GLU . 2.9 m-80 -85.41 126.27 33.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.44 ' CG1' ' HD2' ' A' ' 82' ' ' ARG . 86.0 t -95.4 127.79 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.169 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 11.5 p -111.88 162.12 15.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.51 160.48 30.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.083 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.144 0 CA-C-O 120.811 0.254 . . . . 0.0 112.372 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.9 p -132.65 144.2 37.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.099 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.434 ' CZ ' ' HB1' ' A' ' 94' ' ' ALA . 30.0 m-85 -88.39 136.85 32.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.9 ttmt -43.45 -38.18 2.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.2 pm0 -142.25 -177.82 5.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -112.71 -68.34 0.52 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.53 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.0 tm0? -115.23 145.93 41.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.82 0.343 . . . . 0.0 110.933 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 91.7 t -150.32 116.09 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -85.14 118.96 25.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 18.8 m -112.96 159.34 12.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.095 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.512 ' O ' ' CG ' ' A' ' 22' ' ' HIS . 28.2 p-80 -123.2 114.42 20.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.882 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.5 tt -133.6 132.79 21.94 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.616 0.722 . . . . 0.0 111.139 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 141.37 45.39 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.722 2.281 . . . . 0.0 112.377 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -55.64 -35.01 65.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.859 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -92.55 25.8 2.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.64 144.11 66.07 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.632 0.73 . . . . 0.0 111.09 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 130.94 20.21 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.655 2.236 . . . . 0.0 112.336 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.3 t -54.75 114.76 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.166 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 117.67 13.98 7.06 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.483 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.8 m -83.56 132.62 34.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.809 0.338 . . . . 0.0 111.089 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.0 m -74.51 115.09 13.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.1 t -84.47 -68.18 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.2 tp -140.6 143.23 29.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.109 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.0 tm0? -116.15 123.92 49.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 46.2 mt -106.7 131.34 53.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -126.92 105.33 8.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -128.84 91.23 3.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.106 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.9 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.169 -179.934 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 9.7 mm . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.812 0.339 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -130.94 139.65 50.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.448 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 21.9 m-85 -113.44 118.44 34.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.8 pp -118.75 166.52 13.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.175 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.444 ' CZ ' ' HB3' ' A' ' 67' ' ' LEU . 33.9 m-85 -70.36 139.27 51.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -51.5 -175.03 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.501 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.73 156.82 18.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.702 0.287 . . . . 0.0 111.149 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 43.62 47.11 6.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 54.6 t -97.98 109.97 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.087 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -42.8 155.51 0.26 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.554 0.692 . . . . 0.0 111.103 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -47.22 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.676 2.251 . . . . 0.0 112.362 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -49.83 -53.58 24.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.9 m -52.98 -16.27 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -103.55 -21.71 13.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -81.36 -32.71 32.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 50.3 mt -81.29 -32.6 33.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.562 ' CZ ' HD22 ' A' ' 80' ' ' LEU . 98.7 m-85 -119.23 142.29 48.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -114.75 117.23 30.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.086 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.444 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 11.0 tp -99.37 140.71 33.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -103.74 143.39 32.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 51' ' ' TYR . 0.4 OUTLIER -104.12 1.78 31.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.4 p -106.74 -27.66 10.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.4 p -119.12 -28.37 5.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 77.87 37.83 28.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.499 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.0 tp -115.82 138.57 51.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.858 0.361 . . . . 0.0 110.912 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 85.8 mt -105.62 113.87 43.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.142 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.5 p -119.83 169.91 9.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.173 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 66.2 t -83.29 138.47 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -106.91 -38.89 5.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 45.9 mtp180 -146.68 153.26 40.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.4 m -40.32 150.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.562 HD22 ' CZ ' ' A' ' 65' ' ' PHE . 4.3 mt -104.52 158.6 16.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -120.5 115.01 22.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -84.37 -35.62 23.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -55.36 -19.22 8.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -101.45 -62.73 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.54 HG21 ' CE1' ' A' ' 88' ' ' HIS . 5.2 t -128.3 147.29 50.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.191 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -116.6 -32.78 5.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.125 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 22.5 mm -110.11 124.46 66.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.138 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.54 ' CE1' HG21 ' A' ' 85' ' ' THR . 56.3 m-70 -117.36 114.12 23.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.7 mttt -106.13 113.42 26.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 57.8 t -117.67 132.27 67.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 21.6 m -107.3 130.7 54.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.136 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 86.4 t -110.25 144.72 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 25.4 mt -125.01 126.07 44.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.434 ' HB1' ' CZ ' ' A' ' 14' ' ' PHE . . . -109.74 119.21 38.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 42.0 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.781 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.794 0.248 . . . . 0.0 112.323 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -85.75 151.42 23.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 45.4 mtm-85 -105.2 134.74 47.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.92 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -140.31 118.19 11.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 91.8 m -99.28 136.56 39.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 92.0 t -128.93 115.26 35.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.143 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 7.8 m -87.02 124.55 33.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 16.3 mt -116.54 123.56 71.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.175 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -104.57 132.5 50.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 39.5 t -98.14 115.24 37.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.092 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 68.7 p -98.18 164.3 12.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -69.16 176.49 3.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.116 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.174 0 CA-C-O 120.826 0.261 . . . . 0.0 112.369 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.3 m -82.5 118.32 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.091 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.513 ' CZ ' ' HB2' ' A' ' 94' ' ' ALA . 18.8 m-85 -63.22 111.53 2.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -38.12 -46.84 1.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -130.79 107.68 9.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.51 -93.83 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.446 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -87.1 122.57 31.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.889 0.376 . . . . 0.0 110.931 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 19.3 t -133.05 136.63 55.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.128 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -104.39 129.01 52.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.5 m -125.01 154.79 33.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -120.17 107.85 13.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.826 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.462 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 9.5 tt -124.1 135.75 26.74 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.608 0.718 . . . . 0.0 111.143 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.462 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.8 Cg_endo -69.78 145.15 56.17 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.7 2.267 . . . . 0.0 112.317 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -62.35 -31.99 72.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.5 m-20 -87.91 17.09 5.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.46 142.53 76.54 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.539 0.685 . . . . 0.0 111.142 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 128.17 15.67 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.677 2.252 . . . . 0.0 112.371 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 77' ' ' GLN . 12.0 p -56.24 130.44 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.141 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.66 15.18 23.4 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.459 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 87.8 m -88.92 131.14 35.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.791 0.329 . . . . 0.0 111.101 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 85.1 p -69.32 116.01 9.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 85.2 t -87.29 -67.52 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.146 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.439 HG13 ' N ' ' A' ' 35' ' ' GLN . 7.6 tp -139.61 147.35 24.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.441 ' HB2' ' CD1' ' A' ' 73' ' ' LEU . 2.5 tp-100 -121.89 137.03 54.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.4 HD21 ' CE1' ' A' ' 14' ' ' PHE . 21.5 mt -102.52 133.58 47.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -125.84 105.96 9.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -122.49 101.67 7.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.3 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.135 -179.883 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 49.0 mt . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.821 0.343 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.426 ' CD ' ' O ' ' A' ' 69' ' ' ASN . 6.1 tpp85 -112.28 130.1 56.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.442 ' CD1' ' HA3' ' A' ' 72' ' ' GLY . 3.4 m-85 -101.05 136.11 41.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.9 pp -135.84 164.75 31.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.101 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.514 ' CZ ' ' HG2' ' A' ' 62' ' ' LYS . 18.1 m-85 -63.42 133.88 54.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -55.88 -170.08 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.501 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.69 155.49 18.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.754 0.311 . . . . 0.0 111.154 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 49.47 49.91 19.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.9 t -95.64 118.26 41.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.177 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.68 144.62 79.82 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.617 0.723 . . . . 0.0 111.039 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -44.37 2.11 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.645 2.23 . . . . 0.0 112.336 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -47.77 -40.38 20.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.076 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 87.5 m -68.19 -54.94 14.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.514 ' HG2' ' CZ ' ' A' ' 53' ' ' PHE . 42.9 mtmt -54.65 -34.51 62.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -58.42 -51.07 71.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.835 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 77' ' ' GLN . 2.3 mp -69.82 -52.67 23.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.952 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -104.89 131.46 52.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -105.13 159.91 15.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.405 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 18.1 tp -137.81 125.14 21.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 -95.0 131.73 40.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.426 ' O ' ' CD ' ' A' ' 50' ' ' ARG . 1.3 m120 -85.95 -15.53 41.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 90.0 m -89.42 -28.4 19.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 77.2 p -114.38 -26.96 7.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.157 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.442 ' HA3' ' CD1' ' A' ' 51' ' ' TYR . . . 69.13 28.51 72.77 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.513 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.441 ' CD1' ' HB2' ' A' ' 35' ' ' GLN . 29.7 tp -112.36 134.29 53.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.741 0.305 . . . . 0.0 110.944 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 55.8 mt -98.23 132.13 43.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.118 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 23.6 p -139.05 159.58 41.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 45.9 t -67.51 100.3 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.5 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 4.4 tt0 -67.0 -49.82 64.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 38.5 mtp180 -137.66 162.93 32.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 10.3 t -46.68 156.05 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.9 mt -106.54 142.26 36.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.414 ' CG ' ' HG2' ' A' ' 83' ' ' GLU . 9.6 t0 -124.71 127.66 47.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' A' ' 84' ' ' GLU . 17.3 mtp180 -87.29 -42.7 12.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.414 ' HG2' ' CG ' ' A' ' 81' ' ' ASP . 12.5 pt-20 -39.25 -26.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 82' ' ' ARG . 21.8 tp10 -99.89 -56.88 2.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.0 t -138.82 133.6 32.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.135 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -97.43 -28.76 13.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.077 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 65.0 mt -120.71 133.67 66.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.169 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -113.83 140.56 48.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -125.79 105.8 9.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 52.0 t -114.15 134.91 55.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.16 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 8.4 m -116.64 131.28 56.99 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.133 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.407 ' CG1' ' HB3' ' A' ' 51' ' ' TYR . 33.5 t -121.6 137.15 56.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.151 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 55.3 mt -102.93 155.94 18.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.513 ' HB2' ' CZ ' ' A' ' 14' ' ' PHE . . . -135.38 114.39 12.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.0 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 -179.785 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.23 0.108 0 CA-C-O 120.768 0.237 . . . . 0.0 112.32 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -92.03 161.93 14.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.095 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 37.1 ptt180 -126.09 132.23 51.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -124.13 117.21 24.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 95.5 m -90.56 119.46 30.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.157 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 67.7 t -112.26 125.76 69.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 25.4 m -97.36 118.28 33.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.146 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 59.5 mt -107.45 101.71 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -85.36 125.13 32.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 24.2 t -94.14 115.67 33.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 78.7 p -97.55 169.3 9.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -83.23 -177.75 6.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 19.6 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.136 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.143 0 CA-C-O 120.843 0.268 . . . . 0.0 112.346 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.4 p -142.23 133.61 25.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.08 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.423 ' CD1' HD22 ' A' ' 36' ' ' LEU . 6.1 m-85 -97.62 76.86 2.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt -38.84 133.12 1.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.413 ' O ' ' CG2' ' A' ' 19' ' ' VAL . 27.7 mt-10 62.11 46.41 6.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -40.42 -88.17 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.553 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.411 ' C ' HG22 ' A' ' 19' ' ' VAL . 21.3 mp0 -72.06 118.69 15.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.831 0.348 . . . . 0.0 110.935 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.413 ' CG2' ' O ' ' A' ' 16' ' ' GLU . 43.7 t -140.66 151.02 20.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -115.61 140.77 48.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.8 m -136.06 163.02 35.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.147 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -131.54 104.43 6.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.9 tt -123.44 135.9 26.57 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.616 0.722 . . . . 0.0 111.137 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 148.26 64.55 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.7 2.267 . . . . 0.0 112.353 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -59.16 -39.7 83.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -85.36 13.35 6.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -45.05 143.51 2.36 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.567 0.698 . . . . 0.0 111.104 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 129.86 18.32 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.702 2.268 . . . . 0.0 112.329 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.419 HG12 ' N ' ' A' ' 30' ' ' GLY . 96.1 t -56.82 134.19 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.118 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.419 ' N ' HG12 ' A' ' 29' ' ' VAL . . . 101.5 12.21 36.2 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.521 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 39.0 m -89.78 121.87 32.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.747 0.308 . . . . 0.0 111.165 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 38.4 t -68.3 112.54 5.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.9 t -81.61 -54.84 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.109 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.506 ' CD1' ' N ' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -141.9 152.94 18.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.145 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.506 ' N ' ' CD1' ' A' ' 34' ' ' ILE . 21.2 tt0 -132.78 128.13 36.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.423 HD22 ' CD1' ' A' ' 14' ' ' PHE . 17.0 mt -106.48 142.72 35.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -133.93 107.11 7.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.834 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -125.99 109.21 12.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.8 p . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 -179.909 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 80.8 mt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.793 0.33 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.2 mmt-85 -107.56 150.79 26.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.831 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.511 ' CD2' ' CA ' ' A' ' 72' ' ' GLY . 46.4 m-85 -110.82 104.96 13.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 8.6 pt -114.5 170.63 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.099 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.448 ' CD2' ' HD3' ' A' ' 62' ' ' LYS . 50.9 m-85 -64.97 141.59 58.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 91' ' ' THR . . . -78.45 -165.19 27.17 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.502 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.99 149.29 21.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.749 0.309 . . . . 0.0 111.082 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 60.24 51.14 5.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.5 t -114.39 115.86 50.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.03 150.52 14.86 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.573 0.701 . . . . 0.0 111.082 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -35.64 12.27 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.683 2.255 . . . . 0.0 112.308 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.3 -47.55 85.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.072 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 30.8 m -57.63 -31.46 66.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.122 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.448 ' HD3' ' CD2' ' A' ' 53' ' ' PHE . 47.5 mttt -67.22 -36.9 82.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.902 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.455 ' O ' ' NE2' ' A' ' 77' ' ' GLN . 51.2 ttt180 -78.78 -67.38 0.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.885 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 96.4 mt -41.4 -45.73 3.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -108.77 126.61 53.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.05 145.9 24.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 15.5 tp -127.09 136.69 52.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -99.63 126.37 45.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -87.18 -3.8 59.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 76.2 p -106.57 -24.78 12.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.171 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 28.2 p -125.23 -0.63 7.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.155 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.511 ' CA ' ' CD2' ' A' ' 51' ' ' TYR . . . 47.99 35.2 12.84 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.513 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 22.3 tp -105.64 145.48 30.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.837 0.351 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 72.9 mt -113.63 117.31 55.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 28.7 p -121.63 159.6 26.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 46.3 t -74.68 118.35 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' A' ' 63' ' ' ARG . 7.1 tt0 -81.56 -45.46 15.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 42.3 mtp180 -150.92 169.01 22.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 t -45.93 162.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.5 mt -123.63 166.32 15.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.919 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -131.55 125.2 31.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 33.6 ttp180 -85.81 -25.09 26.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -57.81 -25.91 61.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -92.35 -62.26 1.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.853 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.502 ' CG2' ' CE1' ' A' ' 88' ' ' HIS . 7.3 t -138.16 118.44 13.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.099 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -78.02 -38.0 45.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.097 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 87.5 mt -109.55 132.13 58.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.094 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.502 ' CE1' ' CG2' ' A' ' 85' ' ' THR . 44.5 m-70 -112.26 130.92 55.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 39.0 mttt -120.08 111.8 18.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.454 HG11 ' N ' ' A' ' 91' ' ' THR . 88.5 t -118.03 137.25 52.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.454 ' N ' HG11 ' A' ' 90' ' ' VAL . 60.7 m -121.48 130.25 53.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.156 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 84.0 t -113.58 150.08 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 17.0 mt -125.24 137.07 54.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -112.4 107.74 16.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.1 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 86.1 p . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.79 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.23 0.117 0 CA-C-O 120.752 0.23 . . . . 0.0 112.334 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.67 158.94 31.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.096 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 34.4 ptt85 -122.93 150.08 43.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.912 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -142.04 152.52 43.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 11.8 m -129.64 134.83 47.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.118 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 45.1 t -130.0 131.88 65.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.2 m -103.13 121.32 42.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 37.4 mt -113.4 133.79 58.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -112.33 143.25 43.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 57.1 t -119.06 107.77 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.133 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.455 ' OG1' ' N ' ' A' ' 112' ' ' ASP . 0.1 OUTLIER -104.38 171.46 7.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.074 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.455 ' N ' ' OG1' ' A' ' 111' ' ' THR . 27.5 t70 -61.22 169.29 2.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.082 -179.958 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.232 0.187 0 CA-C-O 120.79 0.246 . . . . 0.0 112.342 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.7 p -80.56 131.22 34.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -92.9 104.15 16.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.6 tttm -75.85 135.94 40.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 61.34 43.67 10.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.86 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -40.41 -64.95 1.06 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.481 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -93.51 126.06 38.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 0.0 110.916 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 79.6 t -153.09 135.27 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.493 ' CG ' ' OD1' ' A' ' 109' ' ' ASN . 6.8 tt0 -98.22 120.96 39.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.6 m -118.2 153.85 20.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 7.3 p-80 -113.63 129.21 56.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.476 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 5.3 tt -149.05 136.37 10.96 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.693 0.758 . . . . 0.0 111.115 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.476 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.8 Cg_endo -69.72 150.33 68.34 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.725 2.284 . . . . 0.0 112.336 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -68.29 -30.99 70.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 40.1 m-20 -88.5 7.19 34.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -40.21 142.56 0.71 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.604 0.716 . . . . 0.0 111.056 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 130.66 19.74 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.704 2.269 . . . . 0.0 112.345 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 19.4 t -51.7 121.05 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 106.79 15.84 15.63 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.508 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 90.5 m -78.11 140.67 39.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.782 0.325 . . . . 0.0 111.166 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.4 p -79.98 110.21 15.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 57.6 t -85.09 -73.05 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.118 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.436 HG13 ' N ' ' A' ' 35' ' ' GLN . 4.4 tp -138.51 142.67 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.191 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.436 ' N ' HG13 ' A' ' 34' ' ' ILE . 40.6 tt0 -115.63 105.48 12.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.951 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.7 mt -80.29 123.8 28.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -111.25 107.32 16.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -131.22 96.13 3.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.076 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 77.2 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 -179.926 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 14.1 mt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.796 0.332 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.4 mmm-85 -105.11 125.94 51.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -89.89 127.87 36.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.952 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 7.6 pt -128.72 161.75 37.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.133 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -62.83 140.28 58.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -66.77 -150.93 0.15 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.501 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -104.48 152.48 22.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.755 0.312 . . . . 0.0 111.063 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 51.11 52.13 15.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.2 t -99.22 134.59 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.97 143.41 97.96 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.564 0.697 . . . . 0.0 111.115 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -42.77 3.04 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.644 2.23 . . . . 0.0 112.358 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -47.81 -53.06 16.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.094 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 94.1 m -59.74 -62.74 1.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.7 mtpp -39.21 -30.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -83.11 -50.93 7.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 76.8 mt -59.72 -52.8 63.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -99.21 132.31 44.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -104.2 117.43 34.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.108 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 30.7 tp -93.13 88.82 6.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.916 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -49.75 124.82 10.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -92.79 26.0 2.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.3 p -122.86 -28.71 4.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.171 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 29.9 p -126.32 -28.71 3.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.11 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.41 35.57 16.88 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.471 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.3 tp -112.59 132.18 55.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.784 0.326 . . . . 0.0 110.942 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 10.3 mm -83.78 136.2 23.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.162 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 40.2 p -139.86 174.99 9.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.088 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 93.5 t -100.92 111.16 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.148 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -82.99 -38.16 23.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.8 mtp85 -143.94 154.54 43.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.0 m -44.11 155.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.8 mt -115.77 163.35 15.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -126.63 127.37 45.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.2 -41.53 16.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -50.11 -45.98 53.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -69.92 -64.86 0.8 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.549 HG22 ' CE1' ' A' ' 88' ' ' HIS . 7.4 t -124.54 136.98 54.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.12 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -96.47 -34.07 11.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.42 HG22 ' CD ' ' A' ' 89' ' ' LYS . 58.0 mt -120.69 147.67 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.549 ' CE1' HG22 ' A' ' 85' ' ' THR . 54.5 m-70 -127.46 115.48 18.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.42 ' CD ' HG22 ' A' ' 87' ' ' ILE . 0.9 OUTLIER -101.05 111.97 24.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 72.0 t -113.62 112.61 41.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.094 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 17.6 m -88.18 136.78 32.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 58.3 t -124.46 129.54 73.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 59.1 mt -114.98 131.91 56.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -115.38 108.38 16.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.082 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.759 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.466 -0.121 0 CA-C-O 120.805 0.252 . . . . 0.0 112.325 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -83.7 147.57 27.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.096 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 -114.95 136.41 53.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -143.44 123.62 13.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.162 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 54.7 m -102.09 137.63 40.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.152 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 77.8 t -120.49 112.74 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.171 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.4 m -74.92 118.59 18.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.117 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 60.7 mt -116.08 110.19 30.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.19 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.51 ' N ' ' ND2' ' A' ' 109' ' ' ASN . 0.8 OUTLIER -86.68 149.74 24.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 65.7 t -113.62 113.68 44.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 40.2 p -102.46 170.85 7.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -101.36 144.66 29.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.886 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 31.0 m . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.123 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.156 0 CA-C-O 120.838 0.266 . . . . 0.0 112.323 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 93.3 t -148.79 130.78 5.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.421 ' CD2' ' HB1' ' A' ' 104' ' ' ALA . 22.9 m-85 -75.74 139.95 42.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.5 tptt -42.77 -47.73 5.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -151.38 116.24 5.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -42.88 -68.31 0.79 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.466 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -110.29 134.28 52.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.876 0.37 . . . . 0.0 110.908 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.5 t -146.05 143.91 21.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -109.5 131.24 55.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.9 m -121.95 147.19 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.524 ' O ' ' CG ' ' A' ' 22' ' ' HIS . 7.0 p-80 -115.02 114.76 25.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.475 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 4.5 tt -139.19 136.52 18.16 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.651 0.739 . . . . 0.0 111.113 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.475 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.8 Cg_endo -69.82 155.6 65.32 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.68 2.253 . . . . 0.0 112.367 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -70.58 -37.72 73.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 27' ' ' ALA . 60.5 t30 -78.09 -0.4 27.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 26' ' ' ASN . . . -36.51 143.71 0.3 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.63 0.729 . . . . 0.0 111.049 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 130.85 20.09 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.682 2.255 . . . . 0.0 112.372 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.5 t -54.82 124.66 8.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.84 -7.01 25.76 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.513 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.454 HG23 ' N ' ' A' ' 32' ' ' SER . 24.2 m -60.86 144.38 52.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.815 0.34 . . . . 0.0 111.128 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.454 ' N ' HG23 ' A' ' 31' ' ' THR . 79.7 p -85.17 107.83 17.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.849 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 38.9 t -72.77 -72.08 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.125 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.467 HD11 ' N ' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -138.74 141.12 37.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.142 179.924 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.467 ' N ' HD11 ' A' ' 34' ' ' ILE . 2.1 tp-100 -120.19 123.93 44.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.7 mt -101.53 124.05 46.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 51.9 m80 -106.34 106.64 17.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -119.82 111.11 17.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 71.9 p . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.176 -179.923 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 95.6 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.834 0.35 . . . . 0.0 111.097 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.6 mtm180 -92.89 133.47 36.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.562 ' CD1' ' HA3' ' A' ' 72' ' ' GLY . 77.2 m-85 -101.46 111.88 24.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 44.2 pt -110.74 174.83 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.121 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.482 ' CE1' ' HG2' ' A' ' 62' ' ' LYS . 54.1 m-85 -76.94 140.31 40.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -60.36 -154.91 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.457 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -104.49 154.1 20.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.773 0.32 . . . . 0.0 111.083 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 48.57 47.31 20.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 96.5 t -101.8 117.71 47.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.17 147.86 64.36 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.546 0.688 . . . . 0.0 111.148 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -42.54 3.32 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.668 2.246 . . . . 0.0 112.381 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -47.54 -47.42 28.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 99.8 m -63.41 -31.39 72.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.121 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.482 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 9.9 mtmp? -79.25 -16.83 55.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -76.07 -59.04 2.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.439 ' N ' HD12 ' A' ' 64' ' ' LEU . 9.5 mp -60.64 -48.4 81.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -101.16 138.32 38.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -118.85 125.36 49.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.117 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.3 tp -99.51 124.33 44.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -78.99 115.37 18.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -79.04 9.25 4.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 46.9 p -116.21 -28.67 6.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.145 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 82.5 p -130.5 16.5 5.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.562 ' HA3' ' CD1' ' A' ' 51' ' ' TYR . . . 38.54 41.69 1.21 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.502 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.5 tp -115.11 131.21 57.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.8 0.333 . . . . 0.0 110.903 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 65.9 mt -98.91 119.15 46.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.199 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.3 p -118.1 162.6 17.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 86.0 t -79.86 107.03 11.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -69.45 -52.67 24.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 50.9 mtp180 -141.13 170.17 16.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.8 p -47.11 153.56 0.44 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.431 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . 6.2 mt -105.88 150.0 26.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.954 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -120.65 152.88 37.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.822 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 84' ' ' GLU . 14.0 mtm105 -116.68 -40.15 3.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -40.57 -26.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 82' ' ' ARG . 0.6 OUTLIER -98.96 -59.58 1.7 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.458 HG22 ' CE1' ' A' ' 88' ' ' HIS . 14.6 t -137.84 137.38 38.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -98.8 -43.42 6.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 47.4 mm -100.44 138.84 23.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.151 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.458 ' CE1' HG22 ' A' ' 85' ' ' THR . 58.2 m-70 -123.78 116.76 23.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.787 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.1 mttm -108.83 105.32 14.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 67.3 t -110.42 131.69 60.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 45.3 m -108.55 113.63 26.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.144 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.438 HG12 ' N ' ' A' ' 93' ' ' LEU . 38.2 t -98.7 143.72 12.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.438 ' N ' HG12 ' A' ' 92' ' ' VAL . 74.0 mt -109.95 155.53 21.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -141.5 123.4 15.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.087 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.4 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.768 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.794 0.248 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.14 141.41 57.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.098 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 12.8 ptt-85 -111.37 149.34 31.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.828 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.421 ' HB1' ' CD2' ' A' ' 14' ' ' PHE . . . -149.64 122.07 8.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.071 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 87.4 m -88.83 135.53 33.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 88.0 t -125.46 132.57 70.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.156 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.8 m -106.76 114.75 29.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 19.7 mt -106.03 131.69 54.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.173 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -114.78 133.45 55.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 48.4 t -98.45 115.21 38.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 44.4 p -100.56 154.28 18.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.173 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -58.24 179.67 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.833 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.419 ' CG1' ' HB2' ' A' ' 24' ' ' PRO . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--O 1.231 0.161 0 CA-C-O 120.813 0.256 . . . . 0.0 112.302 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.5 m -100.26 126.71 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.123 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.482 ' CD1' ' CD2' ' A' ' 36' ' ' LEU . 79.7 m-85 -63.69 165.86 7.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.9 ptmt -66.39 -51.04 61.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -132.88 127.45 34.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -38.57 -61.43 1.29 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.461 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.95 159.74 39.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.845 0.355 . . . . 0.0 110.896 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 60.8 t -150.01 133.98 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.105 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -101.14 135.1 43.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 32.4 m -132.38 165.81 31.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 -133.21 115.03 14.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.821 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.469 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 6.9 tt -127.76 136.23 28.67 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.644 0.735 . . . . 0.0 111.153 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.469 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.5 Cg_endo -69.81 137.35 35.12 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.648 2.232 . . . . 0.0 112.36 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -50.99 -40.52 58.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -85.65 24.22 1.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.64 143.28 86.78 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.579 0.704 . . . . 0.0 111.109 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 128.07 15.5 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.669 2.246 . . . . 0.0 112.337 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.4 t -53.19 122.3 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.37 15.83 10.99 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.514 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 24.8 m -87.45 116.72 25.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.806 0.336 . . . . 0.0 111.116 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.3 p -58.67 106.48 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 65.5 t -78.17 -61.32 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.107 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.453 HG13 ' N ' ' A' ' 35' ' ' GLN . 6.4 tp -144.71 146.55 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.453 ' N ' HG13 ' A' ' 34' ' ' ILE . 20.1 tt0 -128.44 125.64 38.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.482 ' CD2' ' CD1' ' A' ' 14' ' ' PHE . 19.9 mt -100.55 127.92 46.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 63.2 t60 -112.71 105.79 14.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -129.99 103.7 6.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 32.6 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 -179.895 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 75.1 mt . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.778 0.323 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.471 ' CD ' ' HB3' ' A' ' 69' ' ' ASN . 13.1 tpp180 -108.86 120.38 42.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.45 ' O ' ' CG ' ' A' ' 69' ' ' ASN . 41.5 m-85 -93.91 120.5 34.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.964 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -136.34 167.24 24.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.148 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -68.11 147.57 52.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -65.39 -155.29 0.22 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.495 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.72 156.05 17.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.723 0.296 . . . . 0.0 111.075 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 60.37 42.0 15.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 44.5 t -100.75 130.75 49.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.082 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.79 149.36 87.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.612 0.72 . . . . 0.0 111.06 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -49.86 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.659 2.239 . . . . 0.0 112.354 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -40.9 -47.3 2.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.101 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 84.9 m -57.57 -46.02 84.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.16 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -58.91 -61.97 2.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 43.9 ttt180 -37.91 -48.19 1.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.8 mp -67.17 -58.38 4.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.625 ' CZ ' ' CD2' ' A' ' 80' ' ' LEU . 75.8 m-85 -105.03 122.56 46.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -99.78 139.63 35.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.097 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 50.2 tp -114.03 135.03 54.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 45.4 m-20 -100.36 143.45 30.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.746 HD21 ' N ' ' A' ' 69' ' ' ASN . 0.6 OUTLIER -98.59 -4.98 32.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.8 p -105.19 -24.76 12.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 80.2 p -122.39 -14.91 7.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.089 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 54.84 39.58 68.57 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.438 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.8 tp -120.95 127.93 52.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.8 0.333 . . . . 0.0 110.944 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 55.0 mt -94.49 124.05 46.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.1 p -125.99 159.9 31.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.158 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 95.2 t -72.19 105.64 2.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.127 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -80.06 -44.37 20.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 76.8 mtt-85 -136.47 164.11 28.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.3 t -48.92 153.79 0.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.625 ' CD2' ' CZ ' ' A' ' 65' ' ' PHE . 3.7 mt -108.46 142.4 38.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -112.08 119.98 40.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -82.95 -51.35 7.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.818 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -42.1 -47.67 4.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -69.09 -63.39 1.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.561 HG22 ' CE1' ' A' ' 88' ' ' HIS . 11.9 t -130.72 128.41 40.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -88.46 -48.16 7.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.079 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 21.9 mt -108.13 133.77 52.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.561 ' CE1' HG22 ' A' ' 85' ' ' THR . 26.5 m-70 -110.58 116.18 30.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.3 mmtp -101.32 108.53 20.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 57.5 t -122.21 127.01 75.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.108 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 11.7 m -106.75 131.59 53.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 88.6 t -105.96 145.0 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 13.5 mt -116.42 132.71 56.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -118.87 117.96 30.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.08 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 45.8 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.785 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.23 0.114 0 CA-C-O 120.812 0.255 . . . . 0.0 112.344 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -87.33 156.93 19.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.126 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 5.1 ptp85 -131.39 145.49 51.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -139.31 120.29 14.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.099 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 62.3 m -83.23 125.69 31.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.191 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 99.3 t -117.71 121.62 67.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.094 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 12.0 m -98.3 120.95 39.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.085 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 27.6 mt -114.94 107.31 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -89.53 146.82 24.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 76.2 t -109.85 117.15 54.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 21.5 p -96.69 171.75 8.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.193 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -81.0 157.98 25.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 33.0 m . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 -179.967 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.193 0 CA-C-O 120.842 0.267 . . . . 0.0 112.331 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.8 p -173.12 131.1 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.543 ' CD1' HD21 ' A' ' 36' ' ' LEU . 15.7 m-85 -83.32 121.92 27.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 14' ' ' PHE . 25.5 ttmt -37.07 -53.72 0.99 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -135.76 126.04 26.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.51 -60.1 8.77 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.497 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -112.75 128.92 56.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.871 0.367 . . . . 0.0 110.875 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.6 t -134.59 117.4 23.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -89.62 126.4 35.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.6 m -118.14 153.75 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.525 ' O ' ' CG ' ' A' ' 22' ' ' HIS . 27.9 p-80 -117.4 113.92 22.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.473 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 0.7 OUTLIER -140.39 138.58 19.14 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.634 0.73 . . . . 0.0 111.141 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.473 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 54.0 Cg_endo -69.75 151.0 68.99 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.644 2.23 . . . . 0.0 112.386 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.442 ' HB3' ' CG1' ' A' ' 110' ' ' VAL . 21.3 pt-20 -64.83 -32.96 74.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.435 ' O ' ' CG ' ' A' ' 26' ' ' ASN . 31.2 t30 -94.19 27.67 2.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.937 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.19 144.08 77.6 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.613 0.72 . . . . 0.0 111.11 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 133.22 25.04 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.671 2.247 . . . . 0.0 112.337 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.6 t -55.53 129.1 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.108 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 107.77 2.83 34.62 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.527 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 25.5 m -78.65 128.01 32.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.786 0.327 . . . . 0.0 111.188 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.89 114.48 8.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.6 t -85.54 -67.38 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.157 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.7 tp -141.64 140.67 30.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.13 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -131.37 129.06 40.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.543 HD21 ' CD1' ' A' ' 14' ' ' PHE . 5.0 mp -98.23 148.93 23.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.952 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -135.36 106.53 6.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -126.68 127.79 45.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 77.2 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 -179.909 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.404 HG22 ' CZ ' ' A' ' 51' ' ' TYR . 80.6 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.837 0.351 . . . . 0.0 111.158 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 22.1 mmt-85 -98.34 127.37 44.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.425 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 9.9 m-85 -102.05 141.68 34.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 27.2 pt -141.33 178.15 3.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.106 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.527 ' CE1' ' HG2' ' A' ' 62' ' ' LYS . 42.4 m-85 -79.38 139.13 37.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -69.11 -176.4 13.22 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.467 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.58 154.85 21.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.779 0.323 . . . . 0.0 111.073 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 55.34 52.28 11.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 85.1 t -113.9 112.67 41.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -46.67 144.51 3.51 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.552 0.691 . . . . 0.0 111.096 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -30.03 22.78 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.67 2.247 . . . . 0.0 112.366 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.24 -36.0 82.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.067 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 24.7 m -70.2 -43.23 71.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.158 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.527 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 36.0 mtmt -67.52 -30.98 70.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -76.84 -38.06 54.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 43.8 mt -76.61 -34.43 58.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.946 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.487 ' CZ ' HD23 ' A' ' 80' ' ' LEU . 96.1 m-85 -112.64 125.85 54.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.56 130.37 44.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.133 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 41.1 tp -109.87 137.2 47.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -100.97 118.2 36.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.425 ' ND2' ' O ' ' A' ' 51' ' ' TYR . 1.0 OUTLIER -82.06 2.78 29.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.4 p -113.6 -23.6 9.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.169 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 63.8 p -124.64 -12.02 7.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 56.74 39.48 87.0 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.481 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 20.8 tp -120.62 131.69 54.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.773 0.321 . . . . 0.0 110.883 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 70.4 mt -101.72 128.64 53.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.14 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 31.8 p -129.2 159.48 35.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 97.7 t -72.31 106.17 2.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -79.06 -35.45 42.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 33.7 mtt-85 -145.9 164.83 30.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.9 t -58.5 146.35 35.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.816 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.487 HD23 ' CZ ' ' A' ' 65' ' ' PHE . 5.1 mt -109.92 152.72 25.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -130.65 158.37 40.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.835 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.424 ' O ' ' N ' ' A' ' 84' ' ' GLU . 11.1 mtt180 -100.4 -38.51 8.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -41.95 -24.86 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 82' ' ' ARG . 2.0 tm-20 -99.35 -65.34 0.97 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.509 HG23 ' CE1' ' A' ' 88' ' ' HIS . 10.4 t -137.69 121.32 17.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.146 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -78.39 -44.44 24.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.118 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 88.8 mt -109.91 138.52 37.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.509 ' CE1' HG23 ' A' ' 85' ' ' THR . 25.1 m-70 -114.93 118.42 33.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -103.14 105.08 15.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 57.3 t -114.54 129.78 70.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.124 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 14.8 m -113.47 129.53 56.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 59.8 t -106.93 145.77 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.4 ' CD2' ' HD3' ' A' ' 103' ' ' ARG . 53.9 mt -119.47 129.23 54.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -120.84 119.31 32.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 35.4 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.828 -179.757 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 N--CA 1.466 -0.117 0 CA-C-O 120.841 0.267 . . . . 0.0 112.295 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -98.43 129.17 45.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.4 ' HD3' ' CD2' ' A' ' 93' ' ' LEU . 12.2 mmt85 -90.62 144.48 25.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.478 ' HB1' ' CE2' ' A' ' 14' ' ' PHE . . . -145.64 118.39 8.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.093 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 26.1 m -102.84 132.91 48.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.14 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 47.7 t -126.24 122.74 62.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.074 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 25.5 m -95.1 107.81 19.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 41.2 mt -101.42 102.54 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -85.11 129.16 34.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.442 ' CG1' ' HB3' ' A' ' 25' ' ' GLU . 92.4 t -95.76 118.23 41.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.127 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 68.2 p -97.13 155.96 16.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.08 173.92 3.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.439 ' CG1' ' HB2' ' A' ' 24' ' ' PRO . 2.8 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.125 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.156 0 CA-C-O 120.827 0.261 . . . . 0.0 112.34 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 84.1 t -85.93 137.01 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.568 ' CD2' ' HB1' ' A' ' 104' ' ' ALA . 7.7 m-85 -86.18 149.29 25.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.7 ttpt -63.75 -50.93 67.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.8 mp0 -138.58 110.42 7.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -47.55 -54.71 10.34 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.49 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -120.03 136.91 54.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.84 0.353 . . . . 0.0 110.917 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 52.1 t -147.13 125.95 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -95.14 132.66 39.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.1 m -128.46 149.26 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -112.3 105.79 14.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.478 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 8.8 tt -120.75 136.04 25.16 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.679 0.752 . . . . 0.0 111.103 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.478 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.4 Cg_endo -69.78 162.46 41.98 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.699 2.266 . . . . 0.0 112.318 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -82.7 -19.15 38.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.879 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.414 ' O ' ' CG ' ' A' ' 26' ' ' ASN . 33.0 t30 -105.19 19.3 20.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.58 143.88 66.18 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.593 0.711 . . . . 0.0 111.089 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 149.24 66.93 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.686 2.257 . . . . 0.0 112.32 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.4 t -69.85 117.25 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.065 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 118.62 1.47 15.3 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.7 m -67.17 153.19 44.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.811 0.339 . . . . 0.0 111.1 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.9 p -93.26 121.24 34.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 89.7 t -91.43 -70.18 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.408 HG13 ' N ' ' A' ' 35' ' ' GLN . 4.3 tp -136.91 141.32 40.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.408 ' N ' HG13 ' A' ' 34' ' ' ILE . 23.2 tt0 -113.08 97.9 6.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 34.1 mt -88.51 136.76 32.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -136.14 127.74 28.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -132.58 133.19 43.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.068 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.7 p . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 -179.912 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 70.0 mt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.861 0.362 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.446 ' CD ' ' O ' ' A' ' 69' ' ' ASN . 17.7 mmt85 -96.28 143.44 27.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.526 ' CD1' ' CA ' ' A' ' 72' ' ' GLY . 65.6 m-85 -113.28 113.85 25.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 20.4 pt -120.58 160.47 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.113 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -67.26 131.71 46.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -57.94 -166.96 0.12 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.14 155.81 16.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.748 0.309 . . . . 0.0 111.086 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 60.7 42.11 14.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 93.0 t -106.91 117.47 52.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.119 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -48.04 146.56 4.17 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.534 0.683 . . . . 0.0 111.141 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -36.41 10.83 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.677 2.252 . . . . 0.0 112.34 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.98 -47.58 84.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.075 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 43.3 m -59.03 -41.65 88.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.7 mtmt -68.2 -27.21 66.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.862 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 40.5 mtm180 -74.06 -52.41 12.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.5 -51.34 70.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.953 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.555 ' CZ ' HD22 ' A' ' 80' ' ' LEU . 73.8 m-85 -104.47 134.49 47.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -107.67 130.98 54.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.1 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 30.9 tp -93.93 121.91 35.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -82.81 111.02 18.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.446 ' O ' ' CD ' ' A' ' 50' ' ' ARG . 1.2 m120 -83.64 18.92 1.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 27.3 p -117.66 -28.88 5.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 34.4 p -126.53 -26.11 3.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.136 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.526 ' CA ' ' CD1' ' A' ' 51' ' ' TYR . . . 89.46 25.53 27.91 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.523 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.455 ' CD2' HG22 ' A' ' 75' ' ' THR . 7.1 tt -110.87 149.0 31.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.773 0.32 . . . . 0.0 110.934 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.407 ' CG2' ' HB3' ' A' ' 65' ' ' PHE . 99.6 mt -111.9 123.86 68.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.163 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.455 HG22 ' CD2' ' A' ' 73' ' ' LEU . 5.2 p -119.27 172.45 7.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 47.4 t -80.52 112.96 19.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -78.02 -40.13 39.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.958 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -151.21 173.51 14.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.4 t -58.72 134.31 56.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.555 HD22 ' CZ ' ' A' ' 65' ' ' PHE . 3.6 mt -89.96 155.77 18.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.931 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -122.13 114.74 21.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.811 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.462 ' CG ' HG13 ' A' ' 110' ' ' VAL . 3.3 tmm_? -72.65 -49.17 33.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -44.92 -34.85 2.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -79.38 -63.76 1.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.5 t -131.58 133.39 44.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.121 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -97.51 -29.56 13.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 47.4 mt -124.27 132.42 71.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 34.8 m-70 -112.36 145.19 40.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -126.68 108.69 11.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.956 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.432 HG13 ' N ' ' A' ' 91' ' ' THR . 50.4 t -121.88 138.57 51.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.161 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.432 ' N ' HG13 ' A' ' 90' ' ' VAL . 23.0 m -119.37 118.3 30.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 49.3 t -99.46 107.78 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.45 ' CD1' ' HG2' ' A' ' 101' ' ' PRO . 4.2 mm? -84.44 142.7 29.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -118.48 112.83 20.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.873 -179.814 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . 0.45 ' HG2' ' CD1' ' A' ' 93' ' ' LEU . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.158 0 CA-C-O 120.772 0.238 . . . . 0.0 112.353 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.47 136.96 54.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.08 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 24.6 mtt180 -97.75 124.64 42.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.926 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.568 ' HB1' ' CD2' ' A' ' 14' ' ' PHE . . . -135.18 116.1 14.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.108 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 88.6 m -95.55 137.75 34.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 81.3 t -130.1 102.92 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 6.5 m -72.16 128.32 35.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 33.6 mt -119.84 101.55 11.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -84.76 133.41 34.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.462 HG13 ' CG ' ' A' ' 82' ' ' ARG . 86.5 t -93.58 121.49 44.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.098 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 72.3 p -107.12 147.84 29.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.15 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -66.61 160.27 25.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 15.4 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.983 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.162 0 CA-C-O 120.831 0.263 . . . . 0.0 112.37 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.2 p -104.52 126.43 59.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.43 ' O ' ' C ' ' A' ' 15' ' ' LYS . 22.7 m-85 -75.7 117.46 17.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 14' ' ' PHE . 49.9 tttt -36.14 -53.87 0.79 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -127.8 126.53 41.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.09 -70.32 1.27 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.464 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -105.59 120.15 40.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.822 0.344 . . . . 0.0 110.929 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 20.5 t -131.94 135.88 57.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -106.22 127.68 53.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 18.5 m -127.54 147.74 32.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.496 ' O ' ' CG ' ' A' ' 22' ' ' HIS . 27.0 p-80 -110.96 116.54 31.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.842 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.473 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 2.8 tt -134.05 136.94 27.18 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.658 0.742 . . . . 0.0 111.119 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.473 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.6 Cg_endo -69.74 144.4 54.01 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.697 2.264 . . . . 0.0 112.327 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -59.36 -35.25 73.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -91.15 29.4 1.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.27 143.96 97.59 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.569 0.7 . . . . 0.0 111.109 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 135.68 31.12 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.704 2.269 . . . . 0.0 112.293 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.7 t -60.65 126.21 18.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.105 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.93 12.29 20.83 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.515 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 24.7 m -87.4 121.72 30.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.752 0.31 . . . . 0.0 111.127 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 97.6 p -70.69 105.03 3.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.8 t -73.9 -55.91 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.147 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.4 tt -145.03 142.94 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.114 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -114.25 107.01 15.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.0 mt -91.28 121.86 33.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -121.34 108.04 13.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -107.1 99.92 9.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.081 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.8 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 -179.941 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.4 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.813 0.34 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 45.2 mmm-85 -89.39 150.96 22.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -126.74 124.23 39.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 20.9 pt -133.24 171.2 18.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.107 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.531 ' CE1' HD23 ' A' ' 67' ' ' LEU . 60.8 m-85 -78.84 144.23 35.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -73.5 -168.29 14.97 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.489 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -89.83 158.53 17.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.757 0.313 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 61.02 41.81 13.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 87.0 t -109.25 128.63 65.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.09 144.83 99.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.593 0.711 . . . . 0.0 111.139 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -44.09 2.25 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.664 2.243 . . . . 0.0 112.308 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.21 -48.02 62.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.129 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.465 HG22 ' CG2' ' A' ' 90' ' ' VAL . 40.8 m -59.79 -37.79 80.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.162 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -72.23 -29.6 64.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 41.2 mtm-85 -74.62 -49.82 20.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.453 HD23 ' CZ ' ' A' ' 78' ' ' ARG . 91.3 mt -67.24 -36.87 82.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -109.2 121.79 45.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.36 137.29 32.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.531 HD23 ' CE1' ' A' ' 53' ' ' PHE . 53.3 tp -111.8 132.31 54.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -95.59 138.57 33.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -101.71 5.03 41.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 43.1 p -117.79 -27.06 6.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.139 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.7 p -123.28 -18.35 6.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.127 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 63.41 23.98 67.14 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.462 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 17.3 tp -96.99 121.91 39.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.788 0.328 . . . . 0.0 110.923 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 73.4 mt -89.35 125.91 42.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 31.3 p -131.14 166.65 20.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.164 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 91.8 t -78.2 126.08 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -96.13 -40.45 9.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.453 ' CZ ' HD23 ' A' ' 64' ' ' LEU . 5.3 mtm105 -143.28 166.26 25.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 48.8 p -50.47 151.31 2.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.8 mt -110.23 149.79 29.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.936 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -122.98 137.13 55.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 84' ' ' GLU . 51.1 ttp85 -100.22 -42.75 6.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -39.01 -28.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 82' ' ' ARG . 6.2 tp10 -96.02 -60.02 1.72 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.856 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.437 HG21 ' CE1' ' A' ' 88' ' ' HIS . 13.3 t -136.6 130.68 32.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.168 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -99.59 -9.82 22.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.4 HG21 ' N ' ' A' ' 88' ' ' HIS . 86.9 mt -130.77 140.09 49.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.437 ' CE1' HG21 ' A' ' 85' ' ' THR . 74.0 m-70 -126.51 133.18 51.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.9 mmtp -117.14 123.17 46.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.465 ' CG2' HG22 ' A' ' 61' ' ' THR . 44.1 t -134.65 137.81 50.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 16.8 m -118.42 137.25 53.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 87.2 t -112.67 146.75 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 76.4 mt -115.3 120.58 40.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.42 ' HB2' ' CZ ' ' A' ' 14' ' ' PHE . . . -103.36 135.17 45.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.063 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 27.5 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.789 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.155 0 CA-C-O 120.808 0.253 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.422 ' HB1' ' CE2' ' A' ' 14' ' ' PHE . . . -85.9 156.83 20.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.077 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 29.7 mtp180 -119.65 133.22 55.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -145.99 115.02 6.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 86.5 m -85.43 140.57 30.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 89.1 t -124.87 108.21 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.124 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 6.4 m -83.63 112.37 19.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.088 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 16.1 mt -108.84 111.01 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.099 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 52.9 m-20 -84.35 136.58 33.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 78.5 t -102.81 124.15 56.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 81.1 p -111.58 175.73 5.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.167 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.6 -177.02 6.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.872 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.15 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.849 0.27 . . . . 0.0 112.333 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -115.54 149.25 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.427 ' CE1' HD13 ' A' ' 36' ' ' LEU . 33.4 m-85 -97.56 137.01 37.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.6 ptmm? -58.6 -41.58 86.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -143.28 135.87 27.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -84.45 -98.82 0.64 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.507 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -76.29 115.88 16.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.856 0.36 . . . . 0.0 110.904 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 49.0 t -138.31 124.85 26.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.147 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -88.74 142.79 27.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 18.8 m -132.99 158.49 43.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.083 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.532 ' O ' ' CG ' ' A' ' 22' ' ' HIS . 6.7 p-80 -121.44 117.35 26.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.879 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.468 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 10.6 tt -139.99 135.85 16.75 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.582 0.706 . . . . 0.0 111.132 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.468 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 54.0 Cg_endo -69.72 143.02 49.69 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.646 2.231 . . . . 0.0 112.345 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -60.01 -30.63 69.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -91.0 16.29 9.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.46 143.06 28.77 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.563 0.697 . . . . 0.0 111.12 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 133.25 25.15 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.674 2.249 . . . . 0.0 112.363 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.2 t -60.72 117.21 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.135 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 117.73 16.0 6.08 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.495 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.6 m -89.84 132.75 35.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.813 0.339 . . . . 0.0 111.165 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.9 p -75.23 114.52 13.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 51.2 t -85.09 -62.64 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.159 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 17.2 tt -142.68 154.28 17.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -130.7 128.9 41.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.427 HD13 ' CE1' ' A' ' 14' ' ' PHE . 73.1 mt -107.42 139.31 42.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.401 ' CD2' HG21 ' A' ' 39' ' ' THR . 3.0 t-160 -127.34 118.78 24.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -122.95 95.82 4.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.401 HG21 ' CD2' ' A' ' 37' ' ' HIS . 70.7 p . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 58.9 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.851 0.358 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.6 mmm-85 -97.86 139.04 34.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -111.2 105.11 13.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 19.9 pt -104.36 177.28 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.181 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -82.14 147.54 28.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -68.35 -167.64 4.43 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.469 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -99.86 152.51 20.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.778 0.323 . . . . 0.0 111.135 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 61.82 30.13 18.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.924 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 98.2 t -94.78 123.58 46.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.14 152.36 72.0 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.595 0.712 . . . . 0.0 111.085 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -50.75 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.682 2.255 . . . . 0.0 112.366 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -45.37 -34.64 3.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 97.0 m -71.66 -38.79 70.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 34.4 mttt -72.56 -31.21 65.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 -76.13 -64.82 1.01 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 77.6 mt -41.57 -46.23 3.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -95.54 175.23 6.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -139.78 112.61 8.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.071 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 50.7 tp -100.73 137.48 39.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -102.96 133.54 47.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -97.13 8.7 43.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 73.6 p -119.02 -26.72 5.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 21.0 p -122.46 -11.96 8.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.145 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 56.73 42.71 91.54 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.447 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.9 tp -120.0 118.46 30.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.791 0.329 . . . . 0.0 110.934 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 73.0 mt -87.0 122.36 38.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 39.7 p -133.28 156.28 47.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.136 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 96.4 t -59.2 134.37 24.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -111.32 -26.98 8.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -159.88 160.72 33.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.9 t -46.13 135.79 7.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.859 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.4 mt -92.66 155.42 17.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -126.96 114.44 17.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 82' ' ' ARG . 8.7 ttp-105 -78.98 -43.21 24.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -39.77 -44.19 1.54 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.9 tp10 -77.31 -56.57 4.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.445 ' CG2' ' CE1' ' A' ' 88' ' ' HIS . 11.8 t -139.39 124.05 18.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -91.12 -19.8 22.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.075 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 96.0 mt -124.61 116.65 48.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.445 ' CE1' ' CG2' ' A' ' 85' ' ' THR . 38.6 m-70 -100.93 112.86 25.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.859 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 41.3 mttp -102.89 105.0 15.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 59.2 t -113.33 132.48 62.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.159 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 61.4 m -114.57 127.5 55.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.13 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 13.2 t -104.57 144.96 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.104 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 66.4 mt -111.2 143.39 42.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -120.19 109.59 15.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.153 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.3 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.758 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 N--CA 1.466 -0.147 0 CA-C-O 120.797 0.249 . . . . 0.0 112.372 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -84.4 167.11 16.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.088 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 42.0 mtt180 -126.37 127.32 45.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -136.67 118.07 14.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 63.8 m -91.34 136.61 32.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 90.3 t -130.16 101.18 5.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 21.0 m -78.17 127.34 32.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.104 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 25.2 mt -112.95 118.6 58.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.135 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -96.46 116.16 28.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 75.0 t -84.31 120.27 34.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 62.6 p -104.89 162.87 12.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -77.72 170.31 16.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.445 ' CG1' ' HB2' ' A' ' 24' ' ' PRO . 5.1 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.191 0 CA-C-O 120.801 0.25 . . . . 0.0 112.36 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.0 p -133.33 137.48 53.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.451 ' CE1' HD13 ' A' ' 36' ' ' LEU . 11.7 m-85 -83.08 133.12 35.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -60.87 -42.31 97.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.851 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -139.25 130.76 27.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.846 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -95.43 -80.5 1.51 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.495 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -93.56 104.02 16.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.815 0.34 . . . . 0.0 110.889 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.436 ' CG1' ' N ' ' A' ' 20' ' ' GLU . 98.6 t -135.31 158.95 40.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.436 ' N ' ' CG1' ' A' ' 19' ' ' VAL . 1.4 mp0 -117.39 139.52 50.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.1 m -131.84 146.75 32.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.097 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.2 m80 -110.23 117.01 32.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.474 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 2.8 tt -143.45 136.54 13.87 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.659 0.743 . . . . 0.0 111.138 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.474 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.8 Cg_endo -69.74 148.58 65.54 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.697 2.264 . . . . 0.0 112.344 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -68.06 -19.73 64.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 27' ' ' ALA . 14.1 t30 -92.7 -2.44 56.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 26' ' ' ASN . . . -35.17 143.83 0.23 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.559 0.695 . . . . 0.0 111.077 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 128.78 16.47 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.667 2.245 . . . . 0.0 112.34 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.4 t -56.88 131.93 20.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.74 9.86 36.66 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' THR . . . . . 0.417 HG23 ' N ' ' A' ' 32' ' ' SER . 91.1 m -81.71 144.02 31.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.825 0.345 . . . . 0.0 111.132 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.417 ' N ' HG23 ' A' ' 31' ' ' THR . 1.8 t -86.43 106.77 17.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.6 t -75.59 -68.09 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.108 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.46 HG13 ' N ' ' A' ' 35' ' ' GLN . 8.3 tp -133.54 149.75 31.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.46 ' N ' HG13 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -124.37 120.12 31.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.451 HD13 ' CE1' ' A' ' 14' ' ' PHE . 18.6 mt -102.62 116.51 32.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -113.37 105.92 13.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -109.66 147.72 32.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.101 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 19.4 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 -179.879 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.409 ' C ' ' HD3' ' A' ' 50' ' ' ARG . 70.6 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.854 0.359 . . . . 0.0 111.074 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.409 ' HD3' ' C ' ' A' ' 49' ' ' ILE . 0.4 OUTLIER -114.97 157.06 23.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -118.55 137.18 53.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.423 ' CD1' HD13 ' A' ' 93' ' ' LEU . 2.8 pp -143.78 150.82 16.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.146 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.547 ' CZ ' ' HG2' ' A' ' 62' ' ' LYS . 63.2 m-85 -63.8 140.56 58.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.817 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -70.45 -157.44 2.1 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.479 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -95.08 159.99 14.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.733 0.302 . . . . 0.0 111.111 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 21.7 mp0 54.9 47.94 21.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.6 t -109.97 118.6 57.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.99 144.35 48.7 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.554 0.692 . . . . 0.0 111.091 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -49.36 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.649 2.232 . . . . 0.0 112.34 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -45.27 -47.75 12.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 54.2 m -54.16 -40.13 67.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.547 ' HG2' ' CZ ' ' A' ' 53' ' ' PHE . 16.1 mtmm -69.54 -22.88 63.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -78.11 -60.22 2.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.465 ' HB3' ' CD2' ' A' ' 80' ' ' LEU . 1.8 mm? -51.57 -53.19 40.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.549 ' CZ ' HD23 ' A' ' 80' ' ' LEU . 36.8 m-85 -98.16 156.37 16.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -123.67 109.16 13.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.489 ' HB3' ' CE1' ' A' ' 53' ' ' PHE . 7.9 tp -92.85 110.8 22.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.881 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -66.92 118.85 10.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -82.6 17.07 1.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 33.4 m -121.72 -28.49 4.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.091 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 61.3 p -126.44 -25.64 3.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.154 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 84.56 17.64 63.62 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.5 tp -89.45 120.51 30.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.74 0.305 . . . . 0.0 110.935 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 75.9 mt -90.04 127.54 42.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.123 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.2 p -137.86 145.05 41.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.187 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 71.9 t -61.57 115.03 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.139 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -87.38 -42.93 12.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -140.57 153.71 46.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 53.1 p -41.89 134.58 2.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.549 HD23 ' CZ ' ' A' ' 65' ' ' PHE . 9.6 mt -87.15 159.33 18.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.19 113.84 13.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.457 ' CZ ' ' HB3' ' A' ' 82' ' ' ARG . 11.8 ttp-105 -75.84 -40.41 54.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -39.59 -29.16 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 82' ' ' ARG . 54.5 mm-40 -85.31 -62.14 1.6 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.659 ' CG2' ' CE1' ' A' ' 88' ' ' HIS . 13.2 t -139.06 137.36 36.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -85.44 -29.0 24.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 54.9 mt -122.8 147.83 26.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.133 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.659 ' CE1' ' CG2' ' A' ' 85' ' ' THR . 59.2 m-70 -127.47 120.9 29.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -102.81 116.87 33.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 15.2 t -121.92 129.22 75.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.128 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 58.9 m -108.09 130.56 55.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.113 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 46.1 t -111.55 133.87 55.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.423 HD13 ' CD1' ' A' ' 52' ' ' ILE . 80.5 mt -118.49 120.41 37.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -99.04 131.7 44.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 92.9 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 -179.808 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 N--CA 1.466 -0.146 0 CA-C-O 120.806 0.253 . . . . 0.0 112.314 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -82.22 154.32 25.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.089 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.417 ' HB2' ' NH1' ' A' ' 103' ' ' ARG . 25.7 mtm105 -123.68 134.19 53.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.823 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -151.0 120.12 6.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.104 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 91.9 m -101.2 121.9 42.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.101 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 92.7 t -100.95 119.96 49.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.193 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 73.7 m -88.85 117.89 28.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.148 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 17.3 mt -109.97 110.1 30.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -85.38 129.82 34.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 72.3 t -94.97 120.48 44.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 30.5 p -107.08 149.67 27.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.128 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -66.88 159.28 28.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.423 ' CG1' ' HB3' ' A' ' 26' ' ' ASN . 16.9 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.122 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.161 0 CA-C-O 120.85 0.271 . . . . 0.0 112.337 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 37.1 t -122.64 141.12 44.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.507 ' CZ ' ' HB3' ' A' ' 94' ' ' ALA . 39.8 m-85 -88.37 166.43 14.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -62.87 -41.22 99.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -151.48 127.23 10.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -41.84 -45.77 4.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.47 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.524 ' N ' ' CD ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -143.94 137.91 28.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.862 0.363 . . . . 0.0 110.875 -179.882 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.7 t -122.92 140.98 44.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.097 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -108.86 110.26 21.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.932 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.0 m -105.05 157.95 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -124.63 103.29 8.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.475 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 7.0 tt -124.31 136.02 27.18 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.591 0.71 . . . . 0.0 111.1 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.475 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.1 Cg_endo -69.82 154.6 67.31 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.717 2.278 . . . . 0.0 112.33 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -68.36 -34.45 76.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -89.76 24.86 2.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.47 142.85 93.79 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.605 0.717 . . . . 0.0 111.077 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 135.73 31.19 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.691 2.261 . . . . 0.0 112.326 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.0 t -59.63 137.17 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.144 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.56 -9.54 52.78 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.0 m -67.65 134.26 50.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.343 . . . . 0.0 111.085 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.9 m -84.84 106.5 16.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 67.4 t -68.45 -69.53 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.11 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.3 tt -139.16 140.81 37.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -127.08 110.4 12.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.955 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.497 HD23 ' CD1' ' A' ' 14' ' ' PHE . 5.0 mp -71.93 140.42 49.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -113.13 108.89 17.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -132.87 106.77 7.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 71.8 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 -179.875 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 12.4 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.811 0.339 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 18.4 mtt180 -101.43 143.84 30.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.458 ' N ' ' CD1' ' A' ' 51' ' ' TYR . 0.5 OUTLIER -109.51 144.55 37.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.851 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.462 HG21 ' ND2' ' A' ' 69' ' ' ASN . 29.5 pt -142.78 177.23 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.091 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -76.1 145.8 39.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -66.86 -159.84 0.92 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.454 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -103.23 151.65 22.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.754 0.312 . . . . 0.0 111.096 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 55.67 41.47 30.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 99.3 t -95.95 127.54 47.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.51 147.04 83.93 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.598 0.713 . . . . 0.0 111.094 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -40.89 4.8 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.698 2.266 . . . . 0.0 112.315 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.93 -45.91 64.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.077 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 49.3 m -59.58 -40.11 86.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.182 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -70.81 -17.1 62.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 56.6 mtt-85 -90.35 -26.48 19.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 77' ' ' GLN . 33.6 mt -87.25 -37.25 17.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.474 ' CE2' HD23 ' A' ' 80' ' ' LEU . 66.2 m-85 -114.5 127.02 55.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.24 113.59 26.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.135 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.8 tp -103.8 142.0 35.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.95 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -98.11 149.07 22.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.914 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.462 ' ND2' HG21 ' A' ' 52' ' ' ILE . 1.3 m-20 -104.86 7.27 34.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.5 p -116.53 -26.72 6.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 16.9 p -117.32 -23.14 7.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.164 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 73.0 35.11 58.11 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.549 ' C ' ' CD1' ' A' ' 73' ' ' LEU . 0.3 OUTLIER -108.86 144.72 36.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.773 0.32 . . . . 0.0 110.924 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.484 ' N ' ' CD2' ' A' ' 73' ' ' LEU . 68.5 mt -115.3 110.13 30.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.151 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' THR . . . . . 0.45 ' CG2' HD13 ' A' ' 73' ' ' LEU . 3.0 p -104.56 -178.9 3.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 84.5 t -94.06 104.5 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.49 ' N ' ' O ' ' A' ' 64' ' ' LEU . 23.4 tt0 -65.01 -43.47 92.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.927 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.472 ' CG ' HD22 ' A' ' 64' ' ' LEU . 6.3 ptt180 -156.22 168.83 26.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.7 t -51.74 138.4 23.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.474 HD23 ' CE2' ' A' ' 65' ' ' PHE . 7.5 mt -101.06 130.82 47.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -99.11 124.67 44.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.9 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 39.6 ttp85 -82.27 -24.07 34.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -64.05 -11.69 31.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -117.53 -54.04 2.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.4 t -131.49 92.04 3.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.167 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.46 -28.82 69.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.171 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 44.9 mt -131.58 143.7 39.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.114 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -117.38 140.18 49.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -124.04 105.0 9.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 44.9 t -118.17 119.25 60.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 26.1 m -94.69 118.45 31.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 94.6 t -99.48 136.16 31.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 34.1 mt -115.14 130.98 57.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.507 ' HB3' ' CZ ' ' A' ' 14' ' ' PHE . . . -113.32 108.65 17.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.121 179.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.0 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.809 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.784 0.243 . . . . 0.0 112.344 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -87.97 172.73 9.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 36.8 mtm-85 -123.5 117.84 26.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -119.85 122.05 40.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.054 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 86.3 m -100.24 115.61 30.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.161 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 71.4 t -102.31 117.2 47.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 61.3 m -98.5 106.41 18.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.172 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 48.1 mt -102.2 107.43 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.106 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -89.57 134.16 34.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 70.5 t -97.06 104.63 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.064 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 21.0 p -94.3 159.91 14.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.082 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -65.24 168.42 6.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.402 ' CG1' ' HB2' ' A' ' 24' ' ' PRO . 11.5 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.15 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.465 -0.151 0 CA-C-O 120.824 0.26 . . . . 0.0 112.355 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.4 m -72.97 139.72 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.473 ' CD1' HD11 ' A' ' 36' ' ' LEU . 29.9 m-85 -95.51 150.29 20.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.9 tppt? -40.56 -56.88 1.98 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -143.06 169.58 17.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.4 ' C ' ' OE1' ' A' ' 18' ' ' GLN . . . -76.78 -73.11 1.05 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.4 ' OE1' ' C ' ' A' ' 17' ' ' GLY . 4.1 mp0 -120.03 126.34 50.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.82 0.343 . . . . 0.0 110.876 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 41.6 t -128.02 113.71 31.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -86.49 133.04 33.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 18.8 m -127.39 154.74 38.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.129 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.536 ' O ' ' CG ' ' A' ' 22' ' ' HIS . 20.5 p-80 -119.65 115.55 24.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.473 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 1.8 tt -133.5 137.28 28.61 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.588 0.709 . . . . 0.0 111.141 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.473 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.6 Cg_endo -69.81 150.88 68.49 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.681 2.254 . . . . 0.0 112.349 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -64.26 -39.53 94.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -85.51 20.92 1.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.56 142.69 15.24 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.601 0.715 . . . . 0.0 111.138 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.73 135.8 31.45 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.675 2.25 . . . . 0.0 112.336 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 72.1 t -60.42 122.54 11.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.158 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.32 16.02 9.97 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.458 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.4 m -90.8 112.6 24.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.82 0.343 . . . . 0.0 111.114 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 73.2 m -65.55 107.95 1.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 54.8 t -77.91 -60.02 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.402 HG13 ' N ' ' A' ' 35' ' ' GLN . 5.0 tp -141.27 143.7 27.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . 0.402 ' N ' HG13 ' A' ' 34' ' ' ILE . 53.0 tt0 -124.41 100.58 6.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.473 HD11 ' CD1' ' A' ' 14' ' ' PHE . 3.5 mm? -71.06 112.95 7.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.867 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -111.2 106.02 14.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -114.32 98.51 6.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.8 p . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 -179.886 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 55.7 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.877 0.37 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -98.94 141.15 32.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -116.59 130.01 56.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.954 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 12.5 pt -130.61 168.54 23.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.135 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.476 ' CZ ' ' HB3' ' A' ' 67' ' ' LEU . 50.0 m-85 -78.73 140.4 38.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -64.35 -170.72 2.17 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.46 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.72 157.13 16.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.767 0.318 . . . . 0.0 111.121 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 63.8 33.7 12.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.2 t -103.67 115.5 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.123 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.9 157.35 2.1 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.599 0.714 . . . . 0.0 111.141 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.411 ' HA ' ' NZ ' ' A' ' 62' ' ' LYS . 53.8 Cg_endo -69.75 -44.38 2.12 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.696 2.264 . . . . 0.0 112.345 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 63' ' ' ARG . . . -48.03 -66.23 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.089 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 94.8 m -41.07 -25.29 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.161 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 60' ' ' ALA . 5.5 mtmp? -92.82 -33.63 14.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' A' ' 60' ' ' ALA . 17.6 ptt85 -69.95 -30.71 68.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 89.7 mt -83.7 -50.88 7.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.946 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -99.99 134.08 43.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -107.89 128.98 55.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.06 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.476 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 7.9 tp -112.53 136.81 51.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 24.3 m-20 -96.05 129.48 43.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -85.83 3.19 42.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 32.3 p -113.77 -28.43 7.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 41.8 p -117.64 -20.44 8.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.104 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 63.68 52.06 48.89 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.462 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 21.1 tp -126.45 141.73 51.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.75 0.31 . . . . 0.0 110.91 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 95.6 mt -113.7 121.26 65.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 34.4 p -126.24 169.23 13.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.188 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 88.8 t -80.46 107.74 13.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -78.76 -40.15 34.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 65.8 mtp180 -146.39 171.03 15.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.4 t -57.58 156.32 8.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.7 mt -116.0 155.62 27.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.939 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -134.11 134.07 41.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 16.3 mtp180 -83.81 -34.56 24.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -47.4 -24.35 0.78 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -101.2 -58.84 1.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.416 HG23 ' CE1' ' A' ' 88' ' ' HIS . 11.5 t -136.12 126.28 26.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.123 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -91.57 -34.68 14.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 31.9 mt -117.07 136.32 54.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.095 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.416 ' CE1' HG23 ' A' ' 85' ' ' THR . 60.9 m-70 -112.62 123.52 50.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -112.16 107.71 16.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 22.3 t -117.02 131.31 70.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 19.6 m -114.16 121.19 43.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 85.6 t -99.81 133.34 43.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 10.8 mt -114.17 138.38 50.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.428 ' HB3' ' CZ ' ' A' ' 14' ' ' PHE . . . -129.99 125.3 35.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.085 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.6 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 -179.801 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.465 -0.161 0 CA-C-O 120.799 0.249 . . . . 0.0 112.359 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -94.05 138.98 31.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -114.66 137.3 52.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -132.67 115.66 15.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 17.0 m -90.04 125.39 35.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.153 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 98.5 t -119.91 101.02 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.173 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 87.9 m -72.25 130.69 41.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 30.5 mt -125.67 106.72 16.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.102 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -88.6 124.92 34.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 47.6 t -91.25 122.6 42.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.126 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 28.3 p -109.73 163.37 13.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -70.45 -177.25 1.42 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.172 0 CA-C-O 120.827 0.261 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 45.8 t -134.15 116.61 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -65.56 157.8 28.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.889 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.413 ' C ' ' HG2' ' A' ' 16' ' ' GLU . 12.8 tptm -43.88 -55.53 4.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.413 ' HG2' ' C ' ' A' ' 15' ' ' LYS . 48.8 mm-40 -149.13 143.12 25.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -49.42 -94.8 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.514 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.402 ' C ' HG22 ' A' ' 19' ' ' VAL . 23.3 mt-30 -87.37 126.61 34.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 110.904 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.402 HG22 ' C ' ' A' ' 18' ' ' GLN . 43.4 t -136.4 125.01 36.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.122 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -96.41 138.09 34.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.1 m -124.32 165.47 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.098 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 11.4 m80 -122.66 131.29 53.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.865 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.476 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 11.4 tt -151.84 136.0 9.94 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.658 0.742 . . . . 0.0 111.147 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.476 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 54.0 Cg_endo -69.74 154.17 68.14 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.658 2.239 . . . . 0.0 112.345 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -69.61 -36.26 76.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -97.39 46.05 1.03 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.98 143.77 78.29 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.587 0.708 . . . . 0.0 111.083 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 130.72 19.8 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.657 2.238 . . . . 0.0 112.31 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.0 t -53.36 111.2 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 122.81 12.59 4.9 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.4 m -85.62 136.14 33.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.824 0.345 . . . . 0.0 111.125 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 64.8 p -75.9 107.07 7.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 61.6 t -74.97 -62.34 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.141 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.418 HD13 ' C ' ' A' ' 34' ' ' ILE . 0.0 OUTLIER -145.1 146.21 20.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -129.01 118.79 23.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 16.9 mt -97.24 117.76 32.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -92.58 105.31 17.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -125.23 89.41 3.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.131 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 36.5 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 -179.892 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 29.0 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.74 0.305 . . . . 0.0 111.164 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -83.8 115.51 22.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -89.39 111.21 22.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 28.2 pt -106.84 156.42 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.113 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -69.32 142.48 54.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -58.2 -164.4 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.487 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.54 158.1 16.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.754 0.311 . . . . 0.0 111.101 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 52.14 53.17 12.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.945 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.8 t -114.54 129.17 71.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.51 150.74 33.01 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.541 0.686 . . . . 0.0 111.114 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -43.49 2.6 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.702 2.268 . . . . 0.0 112.344 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -48.34 -44.24 34.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.063 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 49.3 m -58.23 -40.07 80.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.167 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.39 -40.08 81.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.1 mtp85 -69.36 -63.87 0.98 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.85 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.5 mt -51.94 -49.08 63.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.464 ' CZ ' ' CD2' ' A' ' 80' ' ' LEU . 84.6 m-85 -104.07 123.29 46.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -98.8 127.9 44.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.114 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 24.7 tp -110.36 123.79 50.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -87.93 144.29 26.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -101.54 -6.87 23.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 74.0 p -105.12 -25.16 12.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.194 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 73.8 p -116.23 -22.39 8.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 63.1 37.26 94.63 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.499 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 30.3 tp -119.9 130.31 54.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.792 0.329 . . . . 0.0 110.919 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 87.4 mt -96.41 123.52 48.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 65.5 p -126.23 165.72 18.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.143 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 51.6 t -81.58 110.46 16.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -81.81 -34.13 30.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 64.4 mtp180 -143.72 160.85 39.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.9 t -51.29 141.98 13.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.464 ' CD2' ' CZ ' ' A' ' 65' ' ' PHE . 10.8 mt -94.65 152.88 18.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.939 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -129.22 124.56 34.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.422 ' CG ' HG11 ' A' ' 110' ' ' VAL . 27.8 mtm180 -81.81 -39.97 23.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -41.92 -44.26 3.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -76.44 -62.59 1.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.53 HG23 ' CE1' ' A' ' 88' ' ' HIS . 5.3 t -139.97 138.1 35.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.425 ' O ' ' CG2' ' A' ' 110' ' ' VAL . . . -95.71 -41.79 8.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.11 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 6.9 mm -105.62 141.02 21.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.53 ' CE1' HG23 ' A' ' 85' ' ' THR . 52.8 m-70 -125.11 115.31 20.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.47 ' N ' ' HD3' ' A' ' 89' ' ' LYS . 0.0 OUTLIER -100.15 109.93 22.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.897 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 87.3 t -115.76 123.66 71.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 17.2 m -100.63 128.78 46.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 60.6 t -108.4 138.19 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.129 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 18.0 mt -119.61 116.41 25.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -103.17 126.21 50.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.8 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 -179.746 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 N--CA 1.465 -0.171 0 CA-C-O 120.724 0.218 . . . . 0.0 112.413 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.39 175.05 4.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.127 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 79.3 mtm-85 -137.66 135.58 36.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -147.52 119.43 8.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 78.2 m -91.75 117.55 29.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 73.5 t -101.04 114.35 39.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.5 m -90.17 119.73 30.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 23.5 mt -107.91 110.04 30.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -95.15 117.62 30.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . 0.425 ' CG2' ' O ' ' A' ' 86' ' ' ALA . 20.3 t -85.33 127.78 39.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 3.6 p -124.96 174.51 7.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.114 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -51.66 153.0 2.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 5.9 p . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 179.985 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.847 0.27 . . . . 0.0 112.287 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.4 p -129.15 133.14 66.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.45 ' CD1' HD22 ' A' ' 36' ' ' LEU . 8.7 m-85 -78.77 153.11 31.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.2 tttp -41.28 -50.72 3.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.964 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.447 ' CG ' HG23 ' A' ' 19' ' ' VAL . 6.3 pt-20 -146.9 160.46 42.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.01 -61.29 5.0 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.511 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -105.86 143.36 34.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.87 0.367 . . . . 0.0 110.87 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.447 HG23 ' CG ' ' A' ' 16' ' ' GLU . 84.1 t -132.97 135.39 57.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -122.97 133.78 54.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.2 m -134.72 150.09 30.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.554 ' CD2' ' O ' ' A' ' 22' ' ' HIS . 2.4 p-80 -114.71 124.68 52.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.0 tt -148.53 132.22 8.43 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.666 0.746 . . . . 0.0 111.084 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.453 ' HB2' ' CG1' ' A' ' 113' ' ' VAL . 54.0 Cg_endo -69.69 154.84 67.53 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -69.32 -38.31 78.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.408 ' ND2' HG23 ' A' ' 113' ' ' VAL . 16.5 m-20 -85.42 29.81 0.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.6 143.72 95.46 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.554 0.692 . . . . 0.0 111.121 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 142.87 49.12 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.683 2.256 . . . . 0.0 112.316 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.5 t -63.55 131.26 29.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.075 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.45 15.8 31.26 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.446 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.1 m -82.86 126.91 32.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.814 0.34 . . . . 0.0 111.15 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.6 p -70.43 109.18 4.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.8 t -79.99 -72.6 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.137 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 10.5 tp -142.62 146.78 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.148 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -123.48 103.74 8.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.45 HD22 ' CD1' ' A' ' 14' ' ' PHE . 13.6 mt -72.17 145.28 48.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -139.21 116.01 10.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.826 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -118.98 126.97 52.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.0 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.187 -179.901 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 67.3 mt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.807 0.337 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.484 ' CD ' ' O ' ' A' ' 69' ' ' ASN . 0.0 OUTLIER -78.27 162.55 26.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -136.8 110.5 8.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 22.8 pt -112.7 169.75 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.095 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.527 ' CZ ' ' HG2' ' A' ' 62' ' ' LYS . 31.4 m-85 -74.26 135.1 42.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -64.25 -152.05 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.499 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -105.58 158.89 16.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.697 0.284 . . . . 0.0 111.137 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 56.59 47.87 17.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 96.2 t -107.89 121.72 61.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.078 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.82 152.07 50.49 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.562 0.696 . . . . 0.0 111.124 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -40.9 4.74 Favored 'Trans proline' 0 N--CA 1.466 -0.14 0 C-N-CA 122.72 2.28 . . . . 0.0 112.321 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.26 -57.47 12.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.081 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 85.5 m -48.11 -35.08 10.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.082 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.527 ' HG2' ' CZ ' ' A' ' 53' ' ' PHE . 35.3 mtmt -73.21 -27.21 61.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.908 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.427 ' O ' ' NE2' ' A' ' 77' ' ' GLN . 26.4 mtt180 -84.79 -54.42 4.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 16.7 mt -57.44 -46.32 83.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -107.7 126.42 52.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -96.83 136.26 37.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.3 tp -113.35 141.62 46.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -103.08 123.25 46.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.484 ' O ' ' CD ' ' A' ' 50' ' ' ARG . 0.7 OUTLIER -84.95 5.11 30.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 73.1 p -116.84 -26.24 7.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 46.4 p -120.92 -15.92 8.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.107 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 62.19 38.29 95.92 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 33.6 tp -111.96 149.06 32.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.805 0.336 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 66.9 mt -121.47 122.12 66.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 34.8 p -128.85 162.03 28.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 91.1 t -71.35 131.09 34.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.146 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.427 ' NE2' ' O ' ' A' ' 63' ' ' ARG . 5.9 tt0 -107.34 -35.76 6.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 79' ' ' SER . 47.4 mtp180 -147.63 152.24 37.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 78' ' ' ARG . 20.2 p -37.82 148.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.4 mt -105.84 152.88 22.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.935 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -121.14 118.27 29.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.9 tmm_? -79.75 -46.74 16.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.832 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -41.27 -49.39 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -65.5 -59.87 3.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 8.9 t -133.46 144.59 49.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.139 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -104.95 -24.2 12.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.048 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 69.6 mt -134.53 134.22 54.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.139 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 23.0 m-70 -113.36 113.96 25.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? -102.83 107.79 18.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 15.2 t -114.17 142.28 27.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.138 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 52.1 m -121.27 121.26 37.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 42.2 t -108.12 140.24 27.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.152 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 55.4 mt -105.29 140.06 38.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -118.77 136.36 54.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 32.2 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.823 -179.746 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 N--CA 1.466 -0.138 0 CA-C-O 120.833 0.264 . . . . 0.0 112.347 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -96.33 128.93 43.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.111 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 3.6 ptp85 -107.69 150.2 27.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -146.27 119.75 9.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.094 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 28.3 m -83.46 117.29 22.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.097 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 90.9 t -106.08 142.98 17.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.128 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 61.2 m -117.87 130.0 55.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.194 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 28.6 mt -117.44 117.27 54.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.161 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -90.91 133.95 34.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 79.3 t -102.25 99.98 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.177 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 68.1 p -85.24 160.85 19.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -76.87 170.24 16.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.453 ' CG1' ' HB2' ' A' ' 24' ' ' PRO . 32.8 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.175 0 CA-C-O 120.774 0.239 . . . . 0.0 112.315 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.4 m -103.13 168.26 2.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.136 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.416 ' CE1' ' HB2' ' A' ' 104' ' ' ALA . 96.1 m-85 -97.99 151.2 20.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -61.16 -38.95 88.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.452 ' HG3' ' CG2' ' A' ' 19' ' ' VAL . 6.2 pt-20 -127.16 -27.67 2.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.86 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 78.6 -63.44 3.72 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.475 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -103.42 138.71 39.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.861 0.362 . . . . 0.0 110.886 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.452 ' CG2' ' HG3' ' A' ' 16' ' ' GLU . 17.9 t -151.64 135.32 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -109.95 115.04 29.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.0 m -112.22 163.44 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.13 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 24.9 p-80 -134.4 108.29 8.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.826 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.472 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 2.3 tt -126.23 137.13 29.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.593 0.711 . . . . 0.0 111.117 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.472 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.7 Cg_endo -69.8 170.48 16.53 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.672 2.248 . . . . 0.0 112.377 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -84.74 -28.6 26.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -79.66 -10.35 59.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -37.13 139.12 0.52 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.572 0.701 . . . . 0.0 111.078 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 141.66 45.67 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.684 2.256 . . . . 0.0 112.306 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 25.1 t -64.53 121.11 12.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.185 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.97 11.03 14.66 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.478 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.6 m -82.21 142.38 32.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.774 0.321 . . . . 0.0 111.174 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 52.4 p -81.81 115.41 21.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.828 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 18.2 t -85.53 -62.11 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.171 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 19.0 tt -142.75 154.13 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.162 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -132.14 106.21 7.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 14.7 mt -93.55 134.44 35.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -113.58 134.96 54.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -126.3 95.2 4.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.2 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.151 -179.895 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 26.3 mt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.835 0.35 . . . . 0.0 111.119 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.467 ' HD2' ' N ' ' A' ' 50' ' ' ARG . 0.3 OUTLIER -90.25 118.82 30.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.88 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.495 ' CE1' ' C ' ' A' ' 71' ' ' THR . 23.4 m-85 -88.21 153.29 21.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.414 ' N ' HD12 ' A' ' 52' ' ' ILE . 0.1 OUTLIER -145.21 175.0 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -83.35 146.31 28.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -54.79 -168.34 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.475 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -94.59 136.61 34.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.748 0.309 . . . . 0.0 111.073 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 56.73 51.16 11.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 92.0 t -96.93 128.37 48.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.471 ' O ' ' CD ' ' A' ' 62' ' ' LYS . . . -51.35 145.52 13.93 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.526 0.679 . . . . 0.0 111.086 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -49.06 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.675 2.25 . . . . 0.0 112.355 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 63' ' ' ARG . . . -51.56 -66.83 0.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 70.5 m -39.31 -31.87 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.144 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.471 ' CD ' ' O ' ' A' ' 58' ' ' ALA . 12.9 mtpt -80.64 -38.32 29.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 60' ' ' ALA . 22.5 mmm180 -58.17 -43.7 87.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.839 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 21.3 mt -69.48 -51.14 38.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.421 ' CZ ' HD21 ' A' ' 80' ' ' LEU . 97.7 m-85 -103.33 120.92 41.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.16 145.53 24.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.106 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 28.3 tp -121.02 119.36 32.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.947 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -73.3 130.84 41.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -94.05 13.07 24.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.6 p -118.79 -28.99 5.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.151 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.495 ' C ' ' CE1' ' A' ' 51' ' ' TYR . 44.9 p -127.88 -29.33 2.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 90.38 14.36 58.77 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.511 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.6 tp -81.96 145.41 30.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.772 0.32 . . . . 0.0 110.891 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 65.7 mt -113.46 133.27 59.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 16.7 p -132.41 170.93 14.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.15 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 97.9 t -86.17 101.79 10.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -72.06 -44.04 63.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 36.6 mtp85 -149.16 152.5 36.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.4 t -39.05 149.54 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.421 HD21 ' CZ ' ' A' ' 65' ' ' PHE . 10.7 mt -98.96 156.23 17.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -114.68 115.09 26.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -88.31 -35.8 17.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -52.16 -46.05 65.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.62 -70.52 0.49 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.526 HG21 ' CE1' ' A' ' 88' ' ' HIS . 4.9 t -112.08 139.97 47.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.148 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -102.37 -37.96 7.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 36.6 mt -116.36 139.19 44.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.09 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.526 ' CE1' HG21 ' A' ' 85' ' ' THR . 51.4 m-70 -119.55 111.04 17.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.816 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 27.2 mttp -103.66 111.35 23.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 65.7 t -123.62 132.98 70.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 16.7 m -99.75 142.63 30.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 69.9 t -117.34 151.31 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 77.7 mt -131.3 120.71 23.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -99.12 110.32 22.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.747 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.23 0.108 0 CA-C-O 120.859 0.274 . . . . 0.0 112.337 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -95.21 153.16 17.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.092 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -102.82 139.82 37.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.416 ' HB2' ' CE1' ' A' ' 14' ' ' PHE . . . -137.22 118.4 14.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.084 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 89.7 m -93.99 108.27 20.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 84.5 t -103.88 110.07 29.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.111 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 8.1 m -91.22 134.22 34.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 18.0 mt -129.07 102.46 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -85.39 151.93 23.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 34.6 t -111.34 130.23 65.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.118 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 11.3 p -114.57 172.39 7.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -90.22 153.56 20.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.9 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 179.975 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.861 0.275 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.7 p -160.33 143.47 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.539 ' CD1' ' HB2' ' A' ' 38' ' ' ALA . 6.3 m-85 -91.13 165.79 13.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -63.19 -54.2 41.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -145.5 113.73 6.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -39.37 -53.5 2.78 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.485 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.7 mp0 -119.1 129.81 55.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.875 0.369 . . . . 0.0 110.895 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.2 t -136.82 125.54 35.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.44 ' OE2' ' ND2' ' A' ' 109' ' ' ASN . 30.9 tt0 -94.71 152.64 18.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.7 m -151.57 165.81 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.486 ' O ' ' CG ' ' A' ' 22' ' ' HIS . 6.3 p-80 -126.53 122.13 34.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.475 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 6.7 tt -145.72 136.2 12.14 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.575 0.702 . . . . 0.0 111.173 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . 0.475 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.7 Cg_endo -69.75 161.45 45.87 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.743 2.295 . . . . 0.0 112.301 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -71.51 -36.39 71.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -90.54 21.0 4.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.5 142.33 22.05 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.627 0.727 . . . . 0.0 111.088 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 129.34 17.47 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.692 2.262 . . . . 0.0 112.329 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.456 HG11 ' N ' ' A' ' 30' ' ' GLY . 89.0 t -56.84 137.14 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.172 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.456 ' N ' HG11 ' A' ' 29' ' ' VAL . . . 102.44 -2.49 50.03 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.526 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 85.6 m -73.83 134.68 43.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.806 0.336 . . . . 0.0 111.122 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 81.1 p -76.68 111.91 12.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 41.5 t -84.96 -65.32 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.459 ' CG2' HD13 ' A' ' 74' ' ' ILE . 2.9 tp -138.91 137.35 42.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.099 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -118.32 111.16 18.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.513 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . 4.6 mt -97.95 127.4 43.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -121.57 109.29 14.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.539 ' HB2' ' CD1' ' A' ' 14' ' ' PHE . . . -131.46 110.1 10.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.063 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 38.0 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 -179.9 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 28.1 mm . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.858 0.361 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 37.1 mmm-85 -112.64 117.31 31.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.446 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 48.0 m-85 -86.0 135.53 33.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.6 pp -137.33 162.9 32.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.474 ' CD2' ' HE2' ' A' ' 62' ' ' LYS . 28.6 m-85 -74.28 119.4 18.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -55.78 -175.31 0.18 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.455 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -83.41 153.27 24.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.762 0.315 . . . . 0.0 111.081 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 61.85 53.89 3.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.6 t -121.71 119.64 59.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.107 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.83 150.27 91.51 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.571 0.701 . . . . 0.0 111.066 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -50.72 0.44 Allowed 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.676 2.251 . . . . 0.0 112.363 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -41.07 -51.26 3.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 89.1 m -54.08 -36.68 63.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.474 ' HE2' ' CD2' ' A' ' 53' ' ' PHE . 1.9 mtpm? -72.6 -43.27 63.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.7 tpt85 -53.83 -41.18 67.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.472 ' CD2' ' HB2' ' A' ' 78' ' ' ARG . 14.9 mt -83.14 -49.47 9.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.564 ' CZ ' HD21 ' A' ' 80' ' ' LEU . 77.4 m-85 -94.37 124.01 38.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -102.77 122.39 44.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.083 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 21.4 tp -96.55 138.92 33.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -102.1 134.22 45.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 51' ' ' TYR . 0.8 OUTLIER -95.79 5.4 51.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 66.5 p -118.35 -28.54 5.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 43.8 p -121.98 -19.11 6.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.159 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 59.53 36.73 90.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.491 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.1 tp -112.93 121.85 45.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.789 0.328 . . . . 0.0 110.95 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.459 HD13 ' CG2' ' A' ' 34' ' ' ILE . 97.4 mt -85.66 123.13 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 32.6 p -126.78 152.44 46.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 59.9 t -65.19 124.0 19.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.144 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -108.46 -26.04 10.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . 0.472 ' HB2' ' CD2' ' A' ' 64' ' ' LEU . 10.7 mmm180 -143.96 161.28 39.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.6 m -64.66 120.33 12.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.564 HD21 ' CZ ' ' A' ' 65' ' ' PHE . 6.2 mt -74.62 143.8 44.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -120.43 126.62 50.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.864 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 39.7 ttp85 -82.9 -43.8 16.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -41.08 -38.16 0.98 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -85.79 -64.92 1.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.514 HG22 ' CE1' ' A' ' 88' ' ' HIS . 4.8 t -126.83 122.43 34.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.169 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.99 -20.23 26.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 47.4 mt -134.62 137.27 51.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.112 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' HIS . . . . . 0.514 ' CE1' HG22 ' A' ' 85' ' ' THR . 32.9 m-70 -116.01 117.09 29.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -106.45 108.19 19.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 93.0 t -119.01 144.56 26.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 32.6 m -122.68 113.62 19.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.098 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 98.3 t -98.13 140.4 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.101 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.407 HD22 ' NH1' ' A' ' 103' ' ' ARG . 76.2 mt -113.99 136.2 53.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -125.95 120.2 29.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.066 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 47.6 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.869 -179.81 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 N--CA 1.466 -0.143 0 CA-C-O 120.821 0.259 . . . . 0.0 112.33 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -98.21 119.23 36.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.464 ' HB3' ' CZ ' ' A' ' 103' ' ' ARG . 4.7 ptp180 -100.08 137.08 39.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -139.64 118.55 12.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.09 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 53.2 m -90.63 110.95 22.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 94.4 t -96.17 107.11 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.097 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.8 m -80.73 102.6 10.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.128 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 18.0 mt -99.57 112.99 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.114 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ASN . . . . . 0.44 ' ND2' ' OE2' ' A' ' 20' ' ' GLU . 66.4 m-20 -85.72 152.77 22.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 47.0 t -121.69 117.86 53.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.136 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 67.1 p -106.79 175.54 5.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -93.07 163.81 13.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.41 ' CG1' ' HB2' ' A' ' 24' ' ' PRO . 6.8 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.172 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.8 t -99.45 -61.97 1.3 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.861 0.362 . . . . 0.0 110.883 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.8 p -91.78 150.01 21.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.07 -88.63 2.05 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.3 p -142.72 163.68 32.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.914 0.387 . . . . 0.0 110.846 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.1 m -107.26 -52.01 2.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.26 132.87 4.39 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.475 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 20.4 p30 -159.32 174.06 15.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.841 0.353 . . . . 0.0 110.914 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.436 ' OD1' ' C ' ' A' ' 9' ' ' ASP . 0.6 OUTLIER -82.57 154.04 25.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -160.42 136.29 8.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.405 ' HD3' ' N ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -133.17 149.98 74.14 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.623 0.725 . . . . 0.0 110.86 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 173.38 11.06 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.723 2.282 . . . . 0.0 112.331 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.2 p -138.35 134.53 43.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -76.56 152.61 35.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.0 tttp -57.34 -51.55 68.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -145.79 130.09 17.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -45.53 -63.69 2.65 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.478 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.03 142.74 51.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.814 0.34 . . . . 0.0 110.944 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.8 t -142.25 141.43 28.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -102.83 134.08 46.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.5 m -127.0 155.06 37.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.156 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.431 ' O ' ' CG ' ' A' ' 22' ' ' HIS . 39.4 p-80 -125.98 105.8 9.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.465 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 0.8 OUTLIER -129.72 138.3 32.82 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.626 0.727 . . . . 0.0 111.127 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.465 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.6 Cg_endo -69.74 140.72 43.44 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.729 2.286 . . . . 0.0 112.34 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.426 ' C ' ' OE1' ' A' ' 25' ' ' GLU . 1.6 pp20? -57.74 -37.52 73.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.447 ' O ' ' C ' ' A' ' 27' ' ' ALA . 46.3 t30 -77.79 -3.11 39.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 26' ' ' ASN . . . -34.41 143.29 0.21 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.603 0.716 . . . . 0.0 111.098 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 143.09 49.41 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.689 2.259 . . . . 0.0 112.301 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.7 t -66.94 128.41 30.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 109.37 6.0 29.64 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.521 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.7 m -79.48 141.12 37.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.789 0.328 . . . . 0.0 111.162 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 77.6 p -90.15 105.48 17.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.9 t -69.83 -68.23 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 11.8 tt -142.35 145.14 23.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.7 tp60 -122.73 124.36 43.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.934 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.0 mt -100.06 115.28 29.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -104.02 104.99 15.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -134.62 90.27 2.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.108 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.5 p -101.71 140.05 36.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.121 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 41' ' ' ALA . 1.0 OUTLIER -62.25 177.38 0.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.87 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 42' ' ' ASP . . . -34.85 116.93 0.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 41' ' ' ALA . 13.3 m-20 -34.97 -56.18 0.57 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 8.6 tt -69.05 110.22 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 84.09 112.62 0.61 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.474 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 73.1 m -129.8 51.88 2.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.861 0.363 . . . . 0.0 110.862 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 63.3 m-20 -91.9 60.04 3.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -150.57 170.74 18.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.068 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -128.38 106.92 9.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.421 ' C ' ' HD2' ' A' ' 50' ' ' ARG . 93.2 mt -86.63 116.78 29.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.135 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.442 ' HD2' ' N ' ' A' ' 50' ' ' ARG . 0.3 OUTLIER -106.26 135.0 48.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.861 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.524 ' CE2' ' C ' ' A' ' 71' ' ' THR . 49.0 m-85 -107.04 108.85 20.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 15.7 pt -104.67 174.44 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.104 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -82.36 136.16 35.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -60.14 -160.56 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.508 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.63 150.12 21.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.751 0.31 . . . . 0.0 111.097 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 60.17 46.94 9.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.936 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 79.7 t -107.77 118.37 55.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.09 148.72 60.04 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.634 0.73 . . . . 0.0 111.068 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -40.28 5.49 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.685 2.257 . . . . 0.0 112.375 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.91 -43.31 59.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.113 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 56.9 m -61.44 -35.7 78.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.167 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -65.18 -36.46 84.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -80.02 -48.93 12.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 67.4 mt -56.83 -41.05 77.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.465 ' CZ ' HD22 ' A' ' 80' ' ' LEU . 87.4 m-85 -117.91 131.55 56.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.16 114.61 26.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.096 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.5 tp -103.29 115.16 30.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -71.35 119.29 15.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.441 ' N ' ' OD1' ' A' ' 69' ' ' ASN . 0.7 OUTLIER -84.58 18.33 2.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.929 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.52 -26.07 3.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.116 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.524 ' C ' ' CE2' ' A' ' 51' ' ' TYR . 18.3 p -125.58 -23.91 3.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.133 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.518 ' N ' ' CD2' ' A' ' 51' ' ' TYR . . . 79.52 25.01 59.63 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.496 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.429 HD11 ' N ' ' A' ' 74' ' ' ILE . 6.4 tp -93.13 135.54 34.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.809 0.337 . . . . 0.0 110.92 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.429 ' N ' HD11 ' A' ' 73' ' ' LEU . 85.2 mt -106.95 122.95 61.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 65.1 p -136.54 150.16 48.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 78.4 t -56.14 123.34 6.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.161 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -101.24 -36.59 8.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 31.8 mtp85 -151.72 161.63 42.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.4 m -52.92 141.05 22.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.465 HD22 ' CZ ' ' A' ' 65' ' ' PHE . 6.6 mt -103.56 168.67 9.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -132.6 123.42 26.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -77.86 -47.01 19.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -44.36 -46.47 9.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -69.89 -68.79 0.39 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 10.1 t -120.58 139.93 52.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.153 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -103.25 -42.05 5.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.105 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.407 HG21 ' N ' ' A' ' 88' ' ' HIS . 75.3 mt -115.21 134.84 57.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.118 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.407 ' N ' HG21 ' A' ' 87' ' ' ILE . 28.8 m-70 -113.25 118.78 35.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 48.7 mttt -109.26 104.32 13.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 91.2 t -117.73 135.62 57.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.19 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 14.1 m -112.2 138.88 48.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.181 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.423 HG11 ' N ' ' A' ' 93' ' ' LEU . 96.4 t -114.41 140.17 36.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.171 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.423 ' N ' HG11 ' A' ' 92' ' ' VAL . 62.0 mt -124.34 121.48 35.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -106.22 116.45 31.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 9.4 p -119.64 112.59 19.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.427 ' OD1' ' C ' ' A' ' 96' ' ' ASP . 1.4 t0 -97.03 -49.79 4.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 173.45 50.91 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 59.6 p -136.05 175.2 9.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.826 0.346 . . . . 0.0 110.875 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.6 m -41.54 -67.11 0.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 24.4 p -135.97 142.88 41.99 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.577 0.703 . . . . 0.0 111.157 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 175.38 8.18 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.709 2.273 . . . . 0.0 112.361 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -93.29 142.45 27.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.105 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 27.7 ptt85 -102.13 142.41 33.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.821 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -142.19 127.91 19.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.081 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 19.2 m -93.8 145.48 24.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 87.0 t -141.48 114.48 4.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.1 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 6.6 m -100.46 125.01 46.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.176 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 12.0 mt -115.35 110.47 32.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -87.76 126.14 34.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 88.3 t -86.93 121.65 37.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.127 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 59.4 p -102.65 144.91 30.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.16 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -54.65 170.27 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -138.4 122.02 20.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.125 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.97 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.521 -0.231 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.8 m -101.32 -61.36 1.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.854 0.359 . . . . 0.0 110.828 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 p 51.11 32.94 8.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.08 120.91 1.7 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.8 t -58.01 119.91 7.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.87 0.367 . . . . 0.0 110.872 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.2 m -71.25 86.5 0.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.852 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.18 152.36 29.25 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.51 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -172.7 140.03 0.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.82 0.343 . . . . 0.0 110.86 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -143.65 125.97 15.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -158.76 127.95 5.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -90.9 147.55 36.17 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.616 0.722 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 133.5 25.66 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.6 2.2 . . . . 0.0 112.351 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.9 m -109.2 135.31 48.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.126 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.55 ' CE2' ' HB2' ' A' ' 104' ' ' ALA . 12.5 m-85 -87.5 129.68 34.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.428 ' HD3' ' CG ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -42.89 -33.69 0.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.428 ' CG ' ' HD3' ' A' ' 15' ' ' LYS . 9.6 mm-40 -149.25 138.88 21.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -78.9 -60.64 2.54 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.461 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -117.97 118.92 33.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.855 0.36 . . . . 0.0 110.926 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 18.9 t -132.16 118.94 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.091 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -94.48 122.35 36.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.445 HG21 ' CG1' ' A' ' 33' ' ' VAL . 27.4 m -116.27 149.1 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.109 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.49 ' O ' ' CG ' ' A' ' 22' ' ' HIS . 17.4 p-80 -114.0 117.89 32.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.473 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 2.3 tt -138.49 137.1 19.71 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.648 0.737 . . . . 0.0 111.078 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.473 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.8 Cg_endo -69.74 159.92 51.63 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.348 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -76.97 -22.61 52.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 56.0 t30 -96.79 16.92 17.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.874 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.96 143.97 50.1 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.555 0.693 . . . . 0.0 111.073 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 143.66 51.66 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.682 2.254 . . . . 0.0 112.341 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 64.0 t -67.19 130.77 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.79 14.37 29.58 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.49 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 32.1 m -83.86 143.22 30.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.756 0.313 . . . . 0.0 111.165 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 58.0 p -89.02 106.56 18.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.445 ' CG1' HG21 ' A' ' 21' ' ' VAL . 44.2 t -75.87 -68.66 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.15 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.0 tt -137.36 152.44 27.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 40.6 tp60 -116.73 127.91 54.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.5 mt -111.4 109.69 19.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.952 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -106.78 116.59 32.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -119.01 127.21 53.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.1 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.6 p -124.73 158.63 32.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.152 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -142.84 172.94 12.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -41.4 103.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -57.28 -73.31 0.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 9.3 tp -51.45 114.1 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.152 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 145.38 -108.63 0.48 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.494 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.0 t -122.81 144.26 49.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.888 0.375 . . . . 0.0 110.823 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -75.69 119.7 20.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -114.12 125.81 54.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -97.89 90.79 5.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.402 ' CG2' ' HB3' ' A' ' 94' ' ' ALA . 28.0 mt -61.14 121.16 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.101 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 12.7 mmt85 -98.03 137.42 36.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.585 ' CD2' ' CA ' ' A' ' 72' ' ' GLY . 10.2 m-85 -107.21 115.8 30.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 12.7 pt -124.66 158.92 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.178 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.489 ' CD2' ' HG2' ' A' ' 62' ' ' LYS . 76.3 m-85 -66.96 136.33 55.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.79 -165.36 0.38 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.459 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -91.62 151.14 20.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.732 0.301 . . . . 0.0 111.127 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 20.5 mp0 59.44 43.85 15.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 88.1 t -97.53 116.2 39.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -45.85 143.94 3.01 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.588 0.709 . . . . 0.0 111.084 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -45.09 1.71 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.702 2.268 . . . . 0.0 112.322 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.59 -33.79 56.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.103 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 93.2 m -70.4 -63.94 0.99 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.489 ' HG2' ' CD2' ' A' ' 53' ' ' PHE . 18.5 mtmt -37.63 -32.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.5 ttt85 -82.92 -66.03 0.94 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 34.6 mt -39.19 -39.84 0.66 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -113.58 142.75 45.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -110.92 118.28 35.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.083 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.7 tp -106.2 107.06 17.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -67.06 132.34 47.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -92.51 5.8 49.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.2 p -116.2 -26.05 7.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 21.3 p -117.38 -17.3 10.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.194 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.585 ' CA ' ' CD2' ' A' ' 51' ' ' TYR . . . 64.46 27.3 71.56 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.456 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.8 tp -104.99 133.27 50.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.725 0.298 . . . . 0.0 110.922 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 97.4 mt -98.11 128.79 49.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.134 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 61.5 p -135.31 170.97 15.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 42.4 t -90.68 122.66 42.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.102 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -95.14 -44.05 7.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 36.1 mtt-85 -133.88 163.41 29.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.1 t -53.25 154.21 3.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.1 mt -113.63 160.14 18.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -123.72 139.41 54.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.818 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -96.66 -26.51 15.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -75.21 -10.69 59.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -102.69 -64.01 1.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.419 HG21 ' CE1' ' A' ' 88' ' ' HIS . 10.2 t -129.87 109.87 11.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.158 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.35 -42.3 62.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.066 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 5.3 mp -113.66 138.54 43.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.093 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.419 ' CE1' HG21 ' A' ' 85' ' ' THR . 24.8 m-70 -113.46 112.96 24.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -101.77 111.97 24.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 60.4 t -130.36 124.71 58.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.156 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 23.0 m -105.41 126.82 52.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.436 ' CG1' ' HB3' ' A' ' 51' ' ' TYR . 49.0 t -102.16 134.63 42.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 14.9 mt -108.78 137.03 47.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.402 ' HB3' ' CG2' ' A' ' 49' ' ' ILE . . . -112.69 101.03 9.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.067 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 42.7 t -110.94 114.43 27.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -119.6 1.51 11.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 112.67 41.45 1.02 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.469 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 t -121.07 179.9 4.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.939 0.4 . . . . 0.0 110.808 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 67.3 m -50.88 -71.99 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.3 p -123.36 144.09 42.96 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.57 0.7 . . . . 0.0 111.162 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 166.73 26.6 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.708 2.272 . . . . 0.0 112.376 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -87.17 151.9 22.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 12.0 mmt85 -114.65 134.51 55.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.55 ' HB2' ' CE2' ' A' ' 14' ' ' PHE . . . -150.19 116.51 5.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 59.1 m -102.41 127.63 49.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 94.0 t -109.68 101.18 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 5.4 m -75.19 102.94 5.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.136 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 30.4 mt -101.21 111.97 32.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.153 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -90.93 136.99 32.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 46.0 t -102.5 116.65 46.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.082 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 1.5 p -100.85 170.42 8.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.154 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -81.77 163.1 22.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 25.5 m -119.69 -27.14 2.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 73.9 m-80 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.983 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.7 m 42.42 42.21 2.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.905 0.383 . . . . 0.0 110.848 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.2 p 43.38 42.14 3.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.833 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.64 48.25 0.6 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.434 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.6 t -96.74 155.78 16.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.916 0.388 . . . . 0.0 110.877 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 t -163.96 167.83 20.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.846 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.04 -75.76 0.16 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -132.74 168.63 17.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.848 0.356 . . . . 0.0 110.857 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -174.26 119.64 0.25 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.86 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -46.35 97.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.2 150.02 0.2 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.566 0.698 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 117.77 5.28 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.661 2.241 . . . . 0.0 112.317 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 71.4 t -102.53 124.1 56.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.461 ' CE1' ' HB3' ' A' ' 36' ' ' LEU . 10.8 m-85 -93.39 111.9 23.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 16' ' ' GLU . 18.1 tptm -64.54 134.11 53.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.44 ' C ' ' O ' ' A' ' 15' ' ' LYS . 14.0 pt-20 34.79 53.78 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -44.79 -47.29 9.26 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.494 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.403 ' C ' HG22 ' A' ' 19' ' ' VAL . 18.8 mp0 -79.52 119.84 23.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.349 . . . . 0.0 110.886 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.441 ' CG1' ' N ' ' A' ' 20' ' ' GLU . 73.3 t -149.73 157.85 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.481 ' CG ' ' ND2' ' A' ' 109' ' ' ASN . 20.8 tt0 -124.65 109.71 13.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.5 m -100.91 163.38 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.146 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 69.9 m80 -125.78 106.62 9.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.475 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 7.5 tt -128.74 136.12 28.66 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.68 0.752 . . . . 0.0 111.106 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.475 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.8 Cg_endo -69.73 145.4 57.2 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.663 2.242 . . . . 0.0 112.365 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -61.38 -29.53 69.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 41.9 t30 -92.53 14.25 17.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.34 142.73 10.58 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.64 0.734 . . . . 0.0 111.055 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 136.49 32.96 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.669 2.246 . . . . 0.0 112.307 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.7 t -61.42 140.67 18.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.85 0.09 59.04 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.524 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 32.1 m -78.7 141.52 37.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.842 0.353 . . . . 0.0 111.115 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 58.2 p -76.71 109.13 10.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.817 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.7 t -78.7 -69.35 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.142 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 3.7 tp -136.05 146.3 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 38.6 tp60 -128.05 126.91 42.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.461 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . 18.6 mt -100.45 146.62 26.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.401 ' NE2' HG22 ' A' ' 39' ' ' THR . 14.8 t-160 -113.52 111.17 21.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -123.02 110.38 15.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.114 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.401 HG22 ' NE2' ' A' ' 37' ' ' HIS . 42.7 p -136.7 127.18 26.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.112 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -107.57 -40.84 5.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -138.29 147.07 43.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -99.23 -50.37 4.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.839 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 5.8 tp -71.6 114.03 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.39 -59.79 0.55 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.549 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 41.9 m 64.24 45.61 3.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.9 0.381 . . . . 0.0 110.861 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -98.43 38.18 1.38 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -130.15 101.35 5.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.117 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -91.44 92.52 8.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.933 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 86.4 mt -80.43 121.27 33.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.13 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -102.81 117.24 34.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.442 ' HB3' ' CG1' ' A' ' 92' ' ' VAL . 0.9 OUTLIER -80.09 159.24 26.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 -179.847 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 12.3 pt -153.04 173.89 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -75.86 126.76 31.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.809 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -66.54 -158.51 0.66 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.496 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -95.79 156.83 16.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.76 0.314 . . . . 0.0 111.125 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 61.85 38.32 14.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.1 t -102.04 127.83 55.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.171 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.92 152.28 95.02 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.637 0.732 . . . . 0.0 111.084 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -46.8 1.07 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.668 2.245 . . . . 0.0 112.355 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.57 -36.58 64.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.061 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 93.2 m -68.83 -25.15 64.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.162 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -75.87 -37.74 58.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 33.2 ttt180 -82.79 -55.3 4.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 46.1 mt -50.05 -36.14 27.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.472 ' CZ ' HD21 ' A' ' 80' ' ' LEU . 75.7 m-85 -116.38 137.42 52.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.81 116.98 33.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 tp -109.65 105.89 15.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 -65.97 118.67 10.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 28.9 m120 -83.3 5.77 22.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 88.4 m -106.78 -27.86 10.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.401 ' C ' ' CE1' ' A' ' 51' ' ' TYR . 43.4 p -126.73 -27.02 3.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.68 11.46 71.05 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.485 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 20.0 tp -87.01 116.61 25.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.764 0.316 . . . . 0.0 110.904 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 84.2 mt -88.9 122.36 40.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.158 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 41.3 p -127.91 152.7 47.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 70.9 t -57.96 109.56 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.145 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -83.71 -39.65 19.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 58.0 mtt-85 -148.33 169.55 19.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.0 m -58.09 133.3 55.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.826 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.472 HD21 ' CZ ' ' A' ' 65' ' ' PHE . 10.2 mt -95.17 164.83 12.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.892 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.51 126.68 31.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.44 ' HD2' ' CG1' ' A' ' 110' ' ' VAL . 8.5 ttt-85 -86.35 -23.48 26.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -56.79 -44.88 82.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -75.63 -61.46 1.91 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.504 ' CG2' ' CE1' ' A' ' 88' ' ' HIS . 6.0 t -138.67 132.12 30.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.136 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -94.64 -34.04 12.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.092 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 81.3 mt -103.68 121.07 54.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.152 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.504 ' CE1' ' CG2' ' A' ' 85' ' ' THR . 42.7 m-70 -108.8 118.2 36.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -108.94 111.93 23.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 97.1 t -119.46 120.8 64.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.139 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 57.1 m -101.14 133.51 45.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.442 ' CG1' ' HB3' ' A' ' 51' ' ' TYR . 93.6 t -116.27 130.95 70.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.128 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 11.5 mt -110.9 123.99 51.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -102.01 128.8 48.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.2 t -133.03 122.34 24.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.814 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -103.63 -46.43 4.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.829 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 149.39 133.53 2.21 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.502 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.3 m 47.56 50.85 14.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.872 0.368 . . . . 0.0 110.864 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 100' ' ' THR . 1.1 t -173.67 116.78 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.821 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.474 ' CG2' ' HD2' ' A' ' 101' ' ' PRO . 95.1 m -36.71 138.68 0.49 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.571 0.7 . . . . 0.0 111.102 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.474 ' HD2' ' CG2' ' A' ' 100' ' ' THR . 54.0 Cg_endo -69.73 153.0 69.59 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.659 2.24 . . . . 0.0 112.369 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -100.7 118.26 36.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -91.0 133.17 35.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.439 ' HB2' ' CD2' ' A' ' 14' ' ' PHE . . . -136.0 124.5 23.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 35.5 m -99.28 142.48 30.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.184 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 84.1 t -134.28 115.42 20.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.9 m -86.73 128.54 35.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.168 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 53.0 mt -117.48 106.38 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.481 ' ND2' ' CG ' ' A' ' 20' ' ' GLU . 2.9 m-80 -85.41 126.27 33.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.44 ' CG1' ' HD2' ' A' ' 82' ' ' ARG . 86.0 t -95.4 127.79 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.169 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 11.5 p -111.88 162.12 15.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.51 160.48 30.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -121.41 -18.11 5.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.083 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 29.4 p30 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.981 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.2 p -143.5 141.61 30.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.901 0.382 . . . . 0.0 110.824 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.1 t -74.32 -57.47 3.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.818 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.14 171.42 2.28 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.488 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.6 m -119.58 40.91 3.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.87 0.367 . . . . 0.0 110.871 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.4 p -131.84 154.17 49.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.27 169.88 24.87 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.461 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -119.07 -29.26 5.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.821 0.343 . . . . 0.0 110.884 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -166.57 166.68 16.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -124.86 -29.68 3.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.8 ptp85 -82.84 145.21 49.62 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.607 0.718 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 153.41 69.06 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.665 2.244 . . . . 0.0 112.372 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.9 p -132.65 144.2 37.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.099 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.434 ' CZ ' ' HB1' ' A' ' 94' ' ' ALA . 30.0 m-85 -88.39 136.85 32.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.9 ttmt -43.45 -38.18 2.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.2 pm0 -142.25 -177.82 5.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -112.71 -68.34 0.52 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.53 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.0 tm0? -115.23 145.93 41.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.82 0.343 . . . . 0.0 110.933 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 91.7 t -150.32 116.09 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -85.14 118.96 25.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 18.8 m -112.96 159.34 12.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.095 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.512 ' O ' ' CG ' ' A' ' 22' ' ' HIS . 28.2 p-80 -123.2 114.42 20.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.882 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.5 tt -133.6 132.79 21.94 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.616 0.722 . . . . 0.0 111.139 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 141.37 45.39 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.722 2.281 . . . . 0.0 112.377 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -55.64 -35.01 65.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.859 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 59.2 t30 -92.55 25.8 2.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.64 144.11 66.07 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.632 0.73 . . . . 0.0 111.09 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 130.94 20.21 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.655 2.236 . . . . 0.0 112.336 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.3 t -54.75 114.76 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.166 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 117.67 13.98 7.06 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.483 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.8 m -83.56 132.62 34.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.809 0.338 . . . . 0.0 111.089 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 47.0 m -74.51 115.09 13.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.1 t -84.47 -68.18 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.2 tp -140.6 143.23 29.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.109 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.0 tm0? -116.15 123.92 49.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 46.2 mt -106.7 131.34 53.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -126.92 105.33 8.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -128.84 91.23 3.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.106 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.9 p -103.95 159.79 15.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.169 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -104.84 176.74 5.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 42' ' ' ASP . . . -44.22 97.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.078 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 41' ' ' ALA . 8.7 p-10 -36.51 -42.69 0.36 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.402 ' C ' HD11 ' A' ' 43' ' ' ILE . 0.5 OUTLIER -56.11 92.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.56 84.09 0.4 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.9 t -95.41 78.63 3.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.899 0.381 . . . . 0.0 110.824 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -97.01 36.2 1.46 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -119.29 178.32 4.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.075 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -133.52 81.52 1.93 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 9.7 mm -64.07 118.57 6.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.101 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -130.94 139.65 50.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.448 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 21.9 m-85 -113.44 118.44 34.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.8 pp -118.75 166.52 13.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.175 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.444 ' CZ ' ' HB3' ' A' ' 67' ' ' LEU . 33.9 m-85 -70.36 139.27 51.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -51.5 -175.03 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.501 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.73 156.82 18.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.702 0.287 . . . . 0.0 111.149 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 43.62 47.11 6.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 54.6 t -97.98 109.97 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.087 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -42.8 155.51 0.26 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.554 0.692 . . . . 0.0 111.103 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -47.22 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.676 2.251 . . . . 0.0 112.362 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -49.83 -53.58 24.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.9 m -52.98 -16.27 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -103.55 -21.71 13.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -81.36 -32.71 32.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 50.3 mt -81.29 -32.6 33.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.562 ' CZ ' HD22 ' A' ' 80' ' ' LEU . 98.7 m-85 -119.23 142.29 48.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -114.75 117.23 30.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.086 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.444 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 11.0 tp -99.37 140.71 33.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -103.74 143.39 32.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 51' ' ' TYR . 0.4 OUTLIER -104.12 1.78 31.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.4 p -106.74 -27.66 10.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.4 p -119.12 -28.37 5.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 77.87 37.83 28.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.499 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.0 tp -115.82 138.57 51.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.858 0.361 . . . . 0.0 110.912 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 85.8 mt -105.62 113.87 43.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.142 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 12.5 p -119.83 169.91 9.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.173 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 66.2 t -83.29 138.47 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -106.91 -38.89 5.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 45.9 mtp180 -146.68 153.26 40.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.4 m -40.32 150.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.562 HD22 ' CZ ' ' A' ' 65' ' ' PHE . 4.3 mt -104.52 158.6 16.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -120.5 115.01 22.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -84.37 -35.62 23.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -55.36 -19.22 8.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -101.45 -62.73 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.54 HG21 ' CE1' ' A' ' 88' ' ' HIS . 5.2 t -128.3 147.29 50.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.191 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -116.6 -32.78 5.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.125 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 22.5 mm -110.11 124.46 66.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.138 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.54 ' CE1' HG21 ' A' ' 85' ' ' THR . 56.3 m-70 -117.36 114.12 23.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.7 mttt -106.13 113.42 26.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 57.8 t -117.67 132.27 67.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 21.6 m -107.3 130.7 54.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.136 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 86.4 t -110.25 144.72 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 25.4 mt -125.01 126.07 44.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.434 ' HB1' ' CZ ' ' A' ' 14' ' ' PHE . . . -109.74 119.21 38.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 42.0 p -114.22 150.75 33.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -111.76 -57.93 2.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 173.75 -53.84 0.15 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.464 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 75.4 m -122.82 50.63 1.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.892 0.377 . . . . 0.0 110.827 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 73.1 m -165.12 146.21 7.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.852 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 37.0 p -61.55 143.87 93.07 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.572 0.701 . . . . 0.0 111.145 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 146.1 58.97 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.646 2.231 . . . . 0.0 112.323 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -85.75 151.42 23.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 45.4 mtm-85 -105.2 134.74 47.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.92 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -140.31 118.19 11.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 91.8 m -99.28 136.56 39.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 92.0 t -128.93 115.26 35.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.143 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 7.8 m -87.02 124.55 33.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 16.3 mt -116.54 123.56 71.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.175 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -104.57 132.5 50.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 39.5 t -98.14 115.24 37.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.092 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 68.7 p -98.18 164.3 12.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -69.16 176.49 3.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -142.88 124.51 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.116 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 16.4 t30 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.548 -0.221 . . . . 0.0 112.548 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.9 m -154.61 145.1 22.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.879 0.371 . . . . 0.0 110.834 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.7 m -146.34 164.71 31.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.27 170.1 23.72 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.482 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -126.84 131.38 51.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.886 0.374 . . . . 0.0 110.849 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.8 m -50.5 154.72 1.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.84 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.82 93.95 0.34 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.539 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -93.25 140.63 29.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.789 0.328 . . . . 0.0 110.925 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -129.27 104.61 7.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -169.38 134.69 1.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -102.91 142.63 24.95 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.638 0.732 . . . . 0.0 110.825 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 97.88 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.702 2.268 . . . . 0.0 112.369 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.3 m -82.5 118.32 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.091 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.513 ' CZ ' ' HB2' ' A' ' 94' ' ' ALA . 18.8 m-85 -63.22 111.53 2.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -38.12 -46.84 1.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -130.79 107.68 9.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.51 -93.83 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.446 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -87.1 122.57 31.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.889 0.376 . . . . 0.0 110.931 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 19.3 t -133.05 136.63 55.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.128 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -104.39 129.01 52.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.5 m -125.01 154.79 33.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -120.17 107.85 13.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.826 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.462 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 9.5 tt -124.1 135.75 26.74 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.608 0.718 . . . . 0.0 111.143 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.462 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.8 Cg_endo -69.78 145.15 56.17 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.7 2.267 . . . . 0.0 112.317 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -62.35 -31.99 72.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.5 m-20 -87.91 17.09 5.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.46 142.53 76.54 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.539 0.685 . . . . 0.0 111.142 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 128.17 15.67 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.677 2.252 . . . . 0.0 112.371 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 77' ' ' GLN . 12.0 p -56.24 130.44 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.141 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.66 15.18 23.4 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.459 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 87.8 m -88.92 131.14 35.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.791 0.329 . . . . 0.0 111.101 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 85.1 p -69.32 116.01 9.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 85.2 t -87.29 -67.52 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.146 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.439 HG13 ' N ' ' A' ' 35' ' ' GLN . 7.6 tp -139.61 147.35 24.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.441 ' HB2' ' CD1' ' A' ' 73' ' ' LEU . 2.5 tp-100 -121.89 137.03 54.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.4 HD21 ' CE1' ' A' ' 14' ' ' PHE . 21.5 mt -102.52 133.58 47.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -125.84 105.96 9.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -122.49 101.67 7.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.3 p -122.95 115.32 21.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.135 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -68.68 175.04 3.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -52.46 109.24 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -44.25 -48.56 9.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.8 tp -68.56 112.96 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.159 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 148.15 -95.91 0.17 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.3 m -151.07 127.57 10.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.82 0.343 . . . . 0.0 110.892 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -53.8 133.21 42.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.408 ' CB ' ' OD1' ' A' ' 96' ' ' ASP . . . -127.72 149.25 50.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -110.29 93.2 4.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 49.0 mt -78.67 126.11 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.163 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.426 ' CD ' ' O ' ' A' ' 69' ' ' ASN . 6.1 tpp85 -112.28 130.1 56.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.442 ' CD1' ' HA3' ' A' ' 72' ' ' GLY . 3.4 m-85 -101.05 136.11 41.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.9 pp -135.84 164.75 31.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.101 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.514 ' CZ ' ' HG2' ' A' ' 62' ' ' LYS . 18.1 m-85 -63.42 133.88 54.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -55.88 -170.08 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.501 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.69 155.49 18.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.754 0.311 . . . . 0.0 111.154 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 49.47 49.91 19.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 84.9 t -95.64 118.26 41.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.177 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.68 144.62 79.82 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.617 0.723 . . . . 0.0 111.039 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -44.37 2.11 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.645 2.23 . . . . 0.0 112.336 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -47.77 -40.38 20.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.076 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 87.5 m -68.19 -54.94 14.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.514 ' HG2' ' CZ ' ' A' ' 53' ' ' PHE . 42.9 mtmt -54.65 -34.51 62.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -58.42 -51.07 71.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.835 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 77' ' ' GLN . 2.3 mp -69.82 -52.67 23.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.952 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -104.89 131.46 52.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -105.13 159.91 15.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.405 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 18.1 tp -137.81 125.14 21.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 -95.0 131.73 40.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.426 ' O ' ' CD ' ' A' ' 50' ' ' ARG . 1.3 m120 -85.95 -15.53 41.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 90.0 m -89.42 -28.4 19.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 77.2 p -114.38 -26.96 7.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.157 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.442 ' HA3' ' CD1' ' A' ' 51' ' ' TYR . . . 69.13 28.51 72.77 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.513 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.441 ' CD1' ' HB2' ' A' ' 35' ' ' GLN . 29.7 tp -112.36 134.29 53.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.741 0.305 . . . . 0.0 110.944 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 55.8 mt -98.23 132.13 43.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.118 179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 23.6 p -139.05 159.58 41.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 45.9 t -67.51 100.3 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.5 ' O ' ' CG2' ' A' ' 29' ' ' VAL . 4.4 tt0 -67.0 -49.82 64.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 38.5 mtp180 -137.66 162.93 32.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 10.3 t -46.68 156.05 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.9 mt -106.54 142.26 36.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.414 ' CG ' ' HG2' ' A' ' 83' ' ' GLU . 9.6 t0 -124.71 127.66 47.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' A' ' 84' ' ' GLU . 17.3 mtp180 -87.29 -42.7 12.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.414 ' HG2' ' CG ' ' A' ' 81' ' ' ASP . 12.5 pt-20 -39.25 -26.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 82' ' ' ARG . 21.8 tp10 -99.89 -56.88 2.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.0 t -138.82 133.6 32.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.135 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -97.43 -28.76 13.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.077 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 65.0 mt -120.71 133.67 66.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.169 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -113.83 140.56 48.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -125.79 105.8 9.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 52.0 t -114.15 134.91 55.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.16 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 8.4 m -116.64 131.28 56.99 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.133 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.407 ' CG1' ' HB3' ' A' ' 51' ' ' TYR . 33.5 t -121.6 137.15 56.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.151 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 55.3 mt -102.93 155.94 18.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.513 ' HB2' ' CZ ' ' A' ' 14' ' ' PHE . . . -135.38 114.39 12.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.796 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.0 p -115.65 133.62 55.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.408 ' OD1' ' CB ' ' A' ' 47' ' ' ALA . 0.6 OUTLIER -110.89 -47.65 3.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.825 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 146.87 137.5 3.01 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.473 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 37.2 m 52.8 44.55 30.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.905 0.383 . . . . 0.0 110.888 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.7 t -174.32 153.66 2.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.826 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 28.8 p -72.84 137.52 79.82 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.635 0.731 . . . . 0.0 111.115 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 146.2 59.41 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.721 2.281 . . . . 0.0 112.32 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -92.03 161.93 14.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.095 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 37.1 ptt180 -126.09 132.23 51.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -124.13 117.21 24.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 95.5 m -90.56 119.46 30.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.157 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 67.7 t -112.26 125.76 69.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 25.4 m -97.36 118.28 33.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.146 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 59.5 mt -107.45 101.71 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -85.36 125.13 32.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 24.2 t -94.14 115.67 33.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 78.7 p -97.55 169.3 9.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -83.23 -177.75 6.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 19.6 m -148.07 129.8 6.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.136 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 53.9 p30 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 -179.97 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.9 t -120.07 146.65 45.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.886 0.374 . . . . 0.0 110.828 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.3 t 45.46 41.94 7.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.7 122.24 1.06 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.535 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.1 p -64.08 81.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.363 . . . . 0.0 110.839 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.4 p -78.92 158.19 28.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.847 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.33 130.0 0.87 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.51 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -150.4 169.72 20.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.842 0.353 . . . . 0.0 110.852 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 48.98 44.91 22.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -93.46 55.61 2.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.0 ptt-85 -60.45 141.13 91.79 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.607 0.718 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 176.74 6.35 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.7 2.267 . . . . 0.0 112.346 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.4 p -142.23 133.61 25.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.08 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.423 ' CD1' HD22 ' A' ' 36' ' ' LEU . 6.1 m-85 -97.62 76.86 2.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt -38.84 133.12 1.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.413 ' O ' ' CG2' ' A' ' 19' ' ' VAL . 27.7 mt-10 62.11 46.41 6.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -40.42 -88.17 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.553 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.411 ' C ' HG22 ' A' ' 19' ' ' VAL . 21.3 mp0 -72.06 118.69 15.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.831 0.348 . . . . 0.0 110.935 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.413 ' CG2' ' O ' ' A' ' 16' ' ' GLU . 43.7 t -140.66 151.02 20.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -115.61 140.77 48.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.8 m -136.06 163.02 35.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.147 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -131.54 104.43 6.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.9 tt -123.44 135.9 26.57 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.616 0.722 . . . . 0.0 111.137 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 148.26 64.55 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.7 2.267 . . . . 0.0 112.353 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -59.16 -39.7 83.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 79.6 m-20 -85.36 13.35 6.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -45.05 143.51 2.36 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.567 0.698 . . . . 0.0 111.104 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 129.86 18.32 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.702 2.268 . . . . 0.0 112.329 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.419 HG12 ' N ' ' A' ' 30' ' ' GLY . 96.1 t -56.82 134.19 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.118 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.419 ' N ' HG12 ' A' ' 29' ' ' VAL . . . 101.5 12.21 36.2 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.521 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 39.0 m -89.78 121.87 32.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.747 0.308 . . . . 0.0 111.165 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 38.4 t -68.3 112.54 5.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.9 t -81.61 -54.84 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.109 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.506 ' CD1' ' N ' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -141.9 152.94 18.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.145 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.506 ' N ' ' CD1' ' A' ' 34' ' ' ILE . 21.2 tt0 -132.78 128.13 36.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.423 HD22 ' CD1' ' A' ' 14' ' ' PHE . 17.0 mt -106.48 142.72 35.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -133.93 107.11 7.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.834 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -125.99 109.21 12.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.8 p -127.99 133.96 49.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 42' ' ' ASP . 1.3 p30 -74.21 98.09 3.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 40' ' ' ASP . . . -34.45 -32.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 40' ' ' ASP . 2.2 t70 -76.29 47.79 0.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 4.3 pt -58.26 109.8 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 177.07 -40.24 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.473 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.7 m -92.38 158.75 15.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.86 0.362 . . . . 0.0 110.892 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 53.4 m-20 -67.68 93.4 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -119.83 136.63 54.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.055 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -127.7 111.53 13.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 80.8 mt -100.89 119.37 48.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.2 mmt-85 -107.56 150.79 26.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.831 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.511 ' CD2' ' CA ' ' A' ' 72' ' ' GLY . 46.4 m-85 -110.82 104.96 13.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 8.6 pt -114.5 170.63 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.099 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.448 ' CD2' ' HD3' ' A' ' 62' ' ' LYS . 50.9 m-85 -64.97 141.59 58.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 91' ' ' THR . . . -78.45 -165.19 27.17 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.502 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.99 149.29 21.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.749 0.309 . . . . 0.0 111.082 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 60.24 51.14 5.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.5 t -114.39 115.86 50.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.03 150.52 14.86 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.573 0.701 . . . . 0.0 111.082 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -35.64 12.27 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.683 2.255 . . . . 0.0 112.308 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.3 -47.55 85.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.072 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 30.8 m -57.63 -31.46 66.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.122 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.448 ' HD3' ' CD2' ' A' ' 53' ' ' PHE . 47.5 mttt -67.22 -36.9 82.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.902 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.455 ' O ' ' NE2' ' A' ' 77' ' ' GLN . 51.2 ttt180 -78.78 -67.38 0.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.885 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 96.4 mt -41.4 -45.73 3.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -108.77 126.61 53.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.05 145.9 24.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 15.5 tp -127.09 136.69 52.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -99.63 126.37 45.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -87.18 -3.8 59.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 76.2 p -106.57 -24.78 12.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.171 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 28.2 p -125.23 -0.63 7.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.155 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.511 ' CA ' ' CD2' ' A' ' 51' ' ' TYR . . . 47.99 35.2 12.84 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.513 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 22.3 tp -105.64 145.48 30.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.837 0.351 . . . . 0.0 110.887 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 72.9 mt -113.63 117.31 55.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 28.7 p -121.63 159.6 26.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 46.3 t -74.68 118.35 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' A' ' 63' ' ' ARG . 7.1 tt0 -81.56 -45.46 15.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 42.3 mtp180 -150.92 169.01 22.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 t -45.93 162.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.5 mt -123.63 166.32 15.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.919 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -131.55 125.2 31.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 33.6 ttp180 -85.81 -25.09 26.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -57.81 -25.91 61.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -92.35 -62.26 1.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.853 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.502 ' CG2' ' CE1' ' A' ' 88' ' ' HIS . 7.3 t -138.16 118.44 13.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.099 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -78.02 -38.0 45.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.097 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 87.5 mt -109.55 132.13 58.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.094 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.502 ' CE1' ' CG2' ' A' ' 85' ' ' THR . 44.5 m-70 -112.26 130.92 55.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 39.0 mttt -120.08 111.8 18.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.454 HG11 ' N ' ' A' ' 91' ' ' THR . 88.5 t -118.03 137.25 52.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.454 ' N ' HG11 ' A' ' 90' ' ' VAL . 60.7 m -121.48 130.25 53.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.156 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 84.0 t -113.58 150.08 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 17.0 mt -125.24 137.07 54.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -112.4 107.74 16.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.1 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 86.1 p -106.84 127.62 53.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -113.74 -47.8 2.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -158.98 -131.43 1.25 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.477 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 26.8 t -63.85 -40.15 95.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.871 0.367 . . . . 0.0 110.856 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 100' ' ' THR . 1.4 t -56.65 113.37 1.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 99' ' ' SER . 29.5 p -36.01 142.6 0.3 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.58 0.705 . . . . 0.0 111.175 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 131.16 20.67 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.665 2.243 . . . . 0.0 112.334 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.67 158.94 31.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.096 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 34.4 ptt85 -122.93 150.08 43.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.912 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -142.04 152.52 43.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 11.8 m -129.64 134.83 47.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.118 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 45.1 t -130.0 131.88 65.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.2 m -103.13 121.32 42.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 37.4 mt -113.4 133.79 58.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -112.33 143.25 43.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 57.1 t -119.06 107.77 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.133 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.455 ' OG1' ' N ' ' A' ' 112' ' ' ASP . 0.1 OUTLIER -104.38 171.46 7.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.074 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.455 ' N ' ' OG1' ' A' ' 111' ' ' THR . 27.5 t70 -61.22 169.29 2.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 1.3 t -115.59 -41.66 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.082 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.978 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.0 m 55.1 41.06 32.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.909 0.385 . . . . 0.0 110.818 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.6 m -110.41 85.99 2.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.91 -170.4 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.497 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.1 p -130.29 137.31 49.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.874 0.368 . . . . 0.0 110.837 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.8 p -46.16 148.36 0.89 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.53 110.79 1.29 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -91.89 -50.51 5.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.821 0.343 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -63.46 108.24 1.3 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 15.1 m-20 -88.68 92.47 9.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -100.14 141.1 22.1 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.568 0.699 . . . . 0.0 110.929 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 120.3 7.11 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.704 2.269 . . . . 0.0 112.342 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.7 p -80.56 131.22 34.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -92.9 104.15 16.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.6 tttm -75.85 135.94 40.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 61.34 43.67 10.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.86 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -40.41 -64.95 1.06 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.481 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -93.51 126.06 38.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 0.0 110.916 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 79.6 t -153.09 135.27 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.493 ' CG ' ' OD1' ' A' ' 109' ' ' ASN . 6.8 tt0 -98.22 120.96 39.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.6 m -118.2 153.85 20.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 7.3 p-80 -113.63 129.21 56.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.476 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 5.3 tt -149.05 136.37 10.96 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.693 0.758 . . . . 0.0 111.115 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.476 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.8 Cg_endo -69.72 150.33 68.34 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.725 2.284 . . . . 0.0 112.336 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -68.29 -30.99 70.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 40.1 m-20 -88.5 7.19 34.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -40.21 142.56 0.71 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.604 0.716 . . . . 0.0 111.056 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 130.66 19.74 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.704 2.269 . . . . 0.0 112.345 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 19.4 t -51.7 121.05 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 106.79 15.84 15.63 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.508 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 90.5 m -78.11 140.67 39.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.782 0.325 . . . . 0.0 111.166 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.4 p -79.98 110.21 15.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 57.6 t -85.09 -73.05 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.118 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.436 HG13 ' N ' ' A' ' 35' ' ' GLN . 4.4 tp -138.51 142.67 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.191 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.436 ' N ' HG13 ' A' ' 34' ' ' ILE . 40.6 tt0 -115.63 105.48 12.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.951 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 18.7 mt -80.29 123.8 28.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -111.25 107.32 16.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -131.22 96.13 3.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.076 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 77.2 p -125.87 129.64 49.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -115.05 174.0 6.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.838 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -40.1 110.69 0.16 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -102.16 46.26 0.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.83 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.2 pt -93.75 107.23 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.142 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.82 -81.4 0.31 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.477 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.5 t -113.5 141.62 46.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.913 0.387 . . . . 0.0 110.849 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -84.22 79.83 9.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.76 126.2 25.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.089 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -97.84 85.13 3.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 14.1 mt -61.27 125.02 16.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.4 mmm-85 -105.11 125.94 51.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -89.89 127.87 36.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.952 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 7.6 pt -128.72 161.75 37.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.133 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -62.83 140.28 58.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -66.77 -150.93 0.15 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.501 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -104.48 152.48 22.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.755 0.312 . . . . 0.0 111.063 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 51.11 52.13 15.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.2 t -99.22 134.59 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.97 143.41 97.96 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.564 0.697 . . . . 0.0 111.115 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -42.77 3.04 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.644 2.23 . . . . 0.0 112.358 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -47.81 -53.06 16.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.094 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 94.1 m -59.74 -62.74 1.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.7 mtpp -39.21 -30.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -83.11 -50.93 7.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 76.8 mt -59.72 -52.8 63.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -99.21 132.31 44.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -104.2 117.43 34.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.108 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 30.7 tp -93.13 88.82 6.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.916 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -49.75 124.82 10.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -92.79 26.0 2.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.3 p -122.86 -28.71 4.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.171 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 29.9 p -126.32 -28.71 3.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.11 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.41 35.57 16.88 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.471 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.3 tp -112.59 132.18 55.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.784 0.326 . . . . 0.0 110.942 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 10.3 mm -83.78 136.2 23.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.162 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 40.2 p -139.86 174.99 9.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.088 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 93.5 t -100.92 111.16 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.148 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -82.99 -38.16 23.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.8 mtp85 -143.94 154.54 43.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.0 m -44.11 155.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.8 mt -115.77 163.35 15.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -126.63 127.37 45.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.2 -41.53 16.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -50.11 -45.98 53.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -69.92 -64.86 0.8 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.549 HG22 ' CE1' ' A' ' 88' ' ' HIS . 7.4 t -124.54 136.98 54.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.12 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -96.47 -34.07 11.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.42 HG22 ' CD ' ' A' ' 89' ' ' LYS . 58.0 mt -120.69 147.67 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.549 ' CE1' HG22 ' A' ' 85' ' ' THR . 54.5 m-70 -127.46 115.48 18.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.42 ' CD ' HG22 ' A' ' 87' ' ' ILE . 0.9 OUTLIER -101.05 111.97 24.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 72.0 t -113.62 112.61 41.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.094 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 17.6 m -88.18 136.78 32.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 58.3 t -124.46 129.54 73.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 59.1 mt -114.98 131.91 56.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -115.38 108.38 16.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.082 179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.3 t -111.16 127.22 55.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -119.28 -52.3 2.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -178.06 40.16 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.545 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.9 m -120.23 175.23 6.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.853 0.359 . . . . 0.0 110.808 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.9 p -58.25 -55.81 30.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 15.4 p -132.96 135.78 26.5 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.604 0.716 . . . . 0.0 111.152 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 163.16 39.32 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.698 2.266 . . . . 0.0 112.325 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -83.7 147.57 27.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.096 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 -114.95 136.41 53.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -143.44 123.62 13.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.162 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 54.7 m -102.09 137.63 40.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.152 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 77.8 t -120.49 112.74 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.171 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.4 m -74.92 118.59 18.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.117 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 60.7 mt -116.08 110.19 30.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.19 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.51 ' N ' ' ND2' ' A' ' 109' ' ' ASN . 0.8 OUTLIER -86.68 149.74 24.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 65.7 t -113.62 113.68 44.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 40.2 p -102.46 170.85 7.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -101.36 144.66 29.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.886 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 31.0 m -92.55 -21.54 6.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.123 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 42.2 m-20 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.0 p -137.19 145.41 43.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.876 0.37 . . . . 0.0 110.814 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.7 p -78.68 137.73 37.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.882 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.7 -50.31 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.498 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 t -71.59 142.2 50.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.882 0.372 . . . . 0.0 110.872 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -80.81 -50.49 9.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.04 129.92 3.68 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.485 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -100.65 142.08 32.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.857 0.361 . . . . 0.0 110.908 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -95.73 161.16 14.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 24.2 p30 -95.95 54.65 1.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.7 ptt180 -157.98 143.91 12.59 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.634 0.731 . . . . 0.0 110.871 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 170.75 15.92 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.683 2.256 . . . . 0.0 112.323 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 93.3 t -148.79 130.78 5.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.421 ' CD2' ' HB1' ' A' ' 104' ' ' ALA . 22.9 m-85 -75.74 139.95 42.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.5 tptt -42.77 -47.73 5.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -151.38 116.24 5.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -42.88 -68.31 0.79 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.466 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -110.29 134.28 52.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.876 0.37 . . . . 0.0 110.908 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.5 t -146.05 143.91 21.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -109.5 131.24 55.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.9 m -121.95 147.19 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.524 ' O ' ' CG ' ' A' ' 22' ' ' HIS . 7.0 p-80 -115.02 114.76 25.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.475 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 4.5 tt -139.19 136.52 18.16 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.651 0.739 . . . . 0.0 111.113 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.475 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.8 Cg_endo -69.82 155.6 65.32 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.68 2.253 . . . . 0.0 112.367 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -70.58 -37.72 73.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 27' ' ' ALA . 60.5 t30 -78.09 -0.4 27.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 26' ' ' ASN . . . -36.51 143.71 0.3 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.63 0.729 . . . . 0.0 111.049 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 130.85 20.09 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.682 2.255 . . . . 0.0 112.372 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.5 t -54.82 124.66 8.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.84 -7.01 25.76 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.513 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.454 HG23 ' N ' ' A' ' 32' ' ' SER . 24.2 m -60.86 144.38 52.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.815 0.34 . . . . 0.0 111.128 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.454 ' N ' HG23 ' A' ' 31' ' ' THR . 79.7 p -85.17 107.83 17.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.849 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 38.9 t -72.77 -72.08 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.125 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.467 HD11 ' N ' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -138.74 141.12 37.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.142 179.924 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.467 ' N ' HD11 ' A' ' 34' ' ' ILE . 2.1 tp-100 -120.19 123.93 44.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.7 mt -101.53 124.05 46.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 51.9 m80 -106.34 106.64 17.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -119.82 111.11 17.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 71.9 p -135.05 115.1 13.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.176 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -77.76 -42.12 35.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -129.59 119.97 24.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.095 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.29 -2.05 21.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.517 ' CD1' ' O ' ' A' ' 43' ' ' ILE . 2.6 pp -86.59 118.14 32.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.84 -89.09 0.76 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.484 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 83.5 p -121.66 -179.3 4.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.813 0.34 . . . . 0.0 110.877 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -153.81 165.86 34.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -93.78 169.25 10.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -103.78 100.16 9.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.881 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 95.6 mt -85.06 126.91 40.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.097 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.6 mtm180 -92.89 133.47 36.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.562 ' CD1' ' HA3' ' A' ' 72' ' ' GLY . 77.2 m-85 -101.46 111.88 24.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 44.2 pt -110.74 174.83 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.121 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.482 ' CE1' ' HG2' ' A' ' 62' ' ' LYS . 54.1 m-85 -76.94 140.31 40.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -60.36 -154.91 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.457 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -104.49 154.1 20.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.773 0.32 . . . . 0.0 111.083 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 48.57 47.31 20.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 96.5 t -101.8 117.71 47.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.17 147.86 64.36 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.546 0.688 . . . . 0.0 111.148 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -42.54 3.32 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.668 2.246 . . . . 0.0 112.381 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -47.54 -47.42 28.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 99.8 m -63.41 -31.39 72.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.121 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.482 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 9.9 mtmp? -79.25 -16.83 55.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -76.07 -59.04 2.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.439 ' N ' HD12 ' A' ' 64' ' ' LEU . 9.5 mp -60.64 -48.4 81.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 -101.16 138.32 38.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -118.85 125.36 49.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.117 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.3 tp -99.51 124.33 44.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -78.99 115.37 18.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -79.04 9.25 4.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 46.9 p -116.21 -28.67 6.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.145 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 82.5 p -130.5 16.5 5.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.562 ' HA3' ' CD1' ' A' ' 51' ' ' TYR . . . 38.54 41.69 1.21 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.502 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.5 tp -115.11 131.21 57.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.8 0.333 . . . . 0.0 110.903 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 65.9 mt -98.91 119.15 46.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.199 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.3 p -118.1 162.6 17.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 86.0 t -79.86 107.03 11.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -69.45 -52.67 24.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 50.9 mtp180 -141.13 170.17 16.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.8 p -47.11 153.56 0.44 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.431 ' HA ' ' CD2' ' A' ' 64' ' ' LEU . 6.2 mt -105.88 150.0 26.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.954 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -120.65 152.88 37.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.822 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 84' ' ' GLU . 14.0 mtm105 -116.68 -40.15 3.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -40.57 -26.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 82' ' ' ARG . 0.6 OUTLIER -98.96 -59.58 1.7 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.458 HG22 ' CE1' ' A' ' 88' ' ' HIS . 14.6 t -137.84 137.38 38.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -98.8 -43.42 6.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 47.4 mm -100.44 138.84 23.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.151 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.458 ' CE1' HG22 ' A' ' 85' ' ' THR . 58.2 m-70 -123.78 116.76 23.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.787 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.1 mttm -108.83 105.32 14.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 67.3 t -110.42 131.69 60.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 45.3 m -108.55 113.63 26.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.144 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.438 HG12 ' N ' ' A' ' 93' ' ' LEU . 38.2 t -98.7 143.72 12.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.438 ' N ' HG12 ' A' ' 92' ' ' VAL . 74.0 mt -109.95 155.53 21.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -141.5 123.4 15.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.087 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 10.4 t -125.95 150.25 48.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -132.99 30.69 3.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.855 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 136.5 -99.53 0.31 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 99' ' ' SER . 44.7 m -106.7 -49.4 3.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.848 0.356 . . . . 0.0 110.892 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 98' ' ' SER . 85.1 p -34.48 130.93 0.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 69.4 p -44.15 142.69 2.1 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.567 0.698 . . . . 0.0 111.178 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 121.3 8.0 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.641 2.227 . . . . 0.0 112.343 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.14 141.41 57.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.098 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 12.8 ptt-85 -111.37 149.34 31.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.828 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.421 ' HB1' ' CD2' ' A' ' 14' ' ' PHE . . . -149.64 122.07 8.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.071 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 87.4 m -88.83 135.53 33.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 88.0 t -125.46 132.57 70.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.156 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.8 m -106.76 114.75 29.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 19.7 mt -106.03 131.69 54.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.173 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -114.78 133.45 55.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 48.4 t -98.45 115.21 38.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 44.4 p -100.56 154.28 18.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.173 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -58.24 179.67 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.833 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.419 ' CG1' ' HB2' ' A' ' 24' ' ' PRO . 0.6 OUTLIER -140.19 119.81 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 8.5 p30 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.5 m -89.76 -61.01 1.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.881 0.372 . . . . 0.0 110.921 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.9 m -43.51 162.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.54 -84.94 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.474 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.2 t 41.22 44.98 2.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.901 0.381 . . . . 0.0 110.863 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.5 p -129.42 124.91 35.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.834 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.13 53.03 0.51 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.459 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -40.73 -57.1 2.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.81 0.338 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 42.57 40.55 1.99 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.823 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -122.34 112.75 18.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.934 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.5 ttp180 -94.6 139.19 22.21 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.597 0.713 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.419 ' HD3' ' CG ' ' A' ' 96' ' ' ASP . 53.1 Cg_endo -69.81 95.83 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.707 2.271 . . . . 0.0 112.302 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.5 m -100.26 126.71 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.123 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.482 ' CD1' ' CD2' ' A' ' 36' ' ' LEU . 79.7 m-85 -63.69 165.86 7.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.9 ptmt -66.39 -51.04 61.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -132.88 127.45 34.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -38.57 -61.43 1.29 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.461 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.95 159.74 39.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.845 0.355 . . . . 0.0 110.896 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 60.8 t -150.01 133.98 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.105 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -101.14 135.1 43.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 32.4 m -132.38 165.81 31.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 -133.21 115.03 14.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.821 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.469 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 6.9 tt -127.76 136.23 28.67 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.644 0.735 . . . . 0.0 111.153 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.469 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.5 Cg_endo -69.81 137.35 35.12 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.648 2.232 . . . . 0.0 112.36 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -50.99 -40.52 58.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.3 m-80 -85.65 24.22 1.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.64 143.28 86.78 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.579 0.704 . . . . 0.0 111.109 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 128.07 15.5 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.669 2.246 . . . . 0.0 112.337 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.4 t -53.19 122.3 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.37 15.83 10.99 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.514 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 24.8 m -87.45 116.72 25.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.806 0.336 . . . . 0.0 111.116 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.3 p -58.67 106.48 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 65.5 t -78.17 -61.32 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.107 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.453 HG13 ' N ' ' A' ' 35' ' ' GLN . 6.4 tp -144.71 146.55 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.453 ' N ' HG13 ' A' ' 34' ' ' ILE . 20.1 tt0 -128.44 125.64 38.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.482 ' CD2' ' CD1' ' A' ' 14' ' ' PHE . 19.9 mt -100.55 127.92 46.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 63.2 t60 -112.71 105.79 14.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -129.99 103.7 6.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 32.6 p -123.88 146.47 48.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -136.15 150.42 49.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.837 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -41.91 114.21 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.099 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -84.68 33.59 0.52 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.848 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.515 ' CD1' ' O ' ' A' ' 43' ' ' ILE . 2.0 pp -105.45 118.86 53.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.144 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 123.72 -73.39 0.4 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.474 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.7 t -138.15 119.49 14.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.87 0.367 . . . . 0.0 110.847 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -63.86 119.58 10.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -123.14 139.83 53.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -105.32 93.92 4.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 75.1 mt -62.88 124.53 17.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.115 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.471 ' CD ' ' HB3' ' A' ' 69' ' ' ASN . 13.1 tpp180 -108.86 120.38 42.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.45 ' O ' ' CG ' ' A' ' 69' ' ' ASN . 41.5 m-85 -93.91 120.5 34.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.964 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -136.34 167.24 24.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.148 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -68.11 147.57 52.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -65.39 -155.29 0.22 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.495 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.72 156.05 17.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.723 0.296 . . . . 0.0 111.075 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 60.37 42.0 15.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 44.5 t -100.75 130.75 49.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.082 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.79 149.36 87.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.612 0.72 . . . . 0.0 111.06 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -49.86 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.659 2.239 . . . . 0.0 112.354 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -40.9 -47.3 2.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.101 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 84.9 m -57.57 -46.02 84.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.16 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -58.91 -61.97 2.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 43.9 ttt180 -37.91 -48.19 1.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.8 mp -67.17 -58.38 4.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.625 ' CZ ' ' CD2' ' A' ' 80' ' ' LEU . 75.8 m-85 -105.03 122.56 46.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -99.78 139.63 35.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.097 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 50.2 tp -114.03 135.03 54.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 45.4 m-20 -100.36 143.45 30.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.746 HD21 ' N ' ' A' ' 69' ' ' ASN . 0.6 OUTLIER -98.59 -4.98 32.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.8 p -105.19 -24.76 12.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 80.2 p -122.39 -14.91 7.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.089 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 54.84 39.58 68.57 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.438 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.8 tp -120.95 127.93 52.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.8 0.333 . . . . 0.0 110.944 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 55.0 mt -94.49 124.05 46.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 20.1 p -125.99 159.9 31.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.158 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 95.2 t -72.19 105.64 2.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.127 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -80.06 -44.37 20.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 76.8 mtt-85 -136.47 164.11 28.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.3 t -48.92 153.79 0.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.625 ' CD2' ' CZ ' ' A' ' 65' ' ' PHE . 3.7 mt -108.46 142.4 38.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -112.08 119.98 40.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -82.95 -51.35 7.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.818 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -42.1 -47.67 4.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -69.09 -63.39 1.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.561 HG22 ' CE1' ' A' ' 88' ' ' HIS . 11.9 t -130.72 128.41 40.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -88.46 -48.16 7.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.079 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 21.9 mt -108.13 133.77 52.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.561 ' CE1' HG22 ' A' ' 85' ' ' THR . 26.5 m-70 -110.58 116.18 30.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.3 mmtp -101.32 108.53 20.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 57.5 t -122.21 127.01 75.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.108 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 11.7 m -106.75 131.59 53.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 88.6 t -105.96 145.0 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 13.5 mt -116.42 132.71 56.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -118.87 117.96 30.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.08 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 45.8 t -118.69 132.94 56.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.419 ' CG ' ' HD3' ' A' ' 12' ' ' PRO . 17.2 p-10 -109.62 -50.6 2.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.864 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -168.34 -122.04 0.6 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.453 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.1 m -80.27 43.98 0.66 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.923 0.392 . . . . 0.0 110.884 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 100' ' ' THR . 36.0 m -139.92 122.84 16.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.85 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.452 ' CG2' ' HD2' ' A' ' 101' ' ' PRO . 88.2 m -36.13 137.83 0.47 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.574 0.702 . . . . 0.0 111.126 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.452 ' HD2' ' CG2' ' A' ' 100' ' ' THR . 53.9 Cg_endo -69.74 140.09 41.89 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.679 2.253 . . . . 0.0 112.344 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -87.33 156.93 19.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.126 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 5.1 ptp85 -131.39 145.49 51.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -139.31 120.29 14.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.099 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 62.3 m -83.23 125.69 31.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.191 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 99.3 t -117.71 121.62 67.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.094 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 12.0 m -98.3 120.95 39.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.085 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 27.6 mt -114.94 107.31 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -89.53 146.82 24.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 76.2 t -109.85 117.15 54.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 21.5 p -96.69 171.75 8.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.193 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -81.0 157.98 25.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 33.0 m -120.89 114.65 44.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 3.3 t30 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -109.16 102.78 11.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.875 0.369 . . . . 0.0 110.876 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.6 m -161.64 167.38 25.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.34 -68.89 0.1 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.3 m 55.54 42.9 29.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.945 0.402 . . . . 0.0 110.866 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.7 m -49.89 169.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.856 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.02 -71.43 0.42 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.52 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -86.14 144.14 27.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.784 0.326 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -92.28 39.46 1.02 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 64.69 43.91 4.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -140.59 144.63 37.17 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.601 0.715 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -164.22 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.657 2.238 . . . . 0.0 112.331 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.8 p -173.12 131.1 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.543 ' CD1' HD21 ' A' ' 36' ' ' LEU . 15.7 m-85 -83.32 121.92 27.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 14' ' ' PHE . 25.5 ttmt -37.07 -53.72 0.99 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -135.76 126.04 26.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.51 -60.1 8.77 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.497 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -112.75 128.92 56.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.871 0.367 . . . . 0.0 110.875 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.6 t -134.59 117.4 23.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -89.62 126.4 35.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.6 m -118.14 153.75 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.525 ' O ' ' CG ' ' A' ' 22' ' ' HIS . 27.9 p-80 -117.4 113.92 22.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.473 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 0.7 OUTLIER -140.39 138.58 19.14 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.634 0.73 . . . . 0.0 111.141 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.473 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 54.0 Cg_endo -69.75 151.0 68.99 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.644 2.23 . . . . 0.0 112.386 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.442 ' HB3' ' CG1' ' A' ' 110' ' ' VAL . 21.3 pt-20 -64.83 -32.96 74.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.435 ' O ' ' CG ' ' A' ' 26' ' ' ASN . 31.2 t30 -94.19 27.67 2.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.937 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -58.19 144.08 77.6 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.613 0.72 . . . . 0.0 111.11 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 133.22 25.04 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.671 2.247 . . . . 0.0 112.337 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.6 t -55.53 129.1 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.108 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 107.77 2.83 34.62 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.527 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 25.5 m -78.65 128.01 32.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.786 0.327 . . . . 0.0 111.188 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.89 114.48 8.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.6 t -85.54 -67.38 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.157 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.7 tp -141.64 140.67 30.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.13 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -131.37 129.06 40.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.543 HD21 ' CD1' ' A' ' 14' ' ' PHE . 5.0 mp -98.23 148.93 23.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.952 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -135.36 106.53 6.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -126.68 127.79 45.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 40' ' ' ASP . 77.2 p -136.22 108.22 7.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 39' ' ' THR . 28.4 t0 -36.51 -56.59 0.8 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -133.97 111.16 10.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -38.82 -34.79 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.2 tp -87.24 99.31 8.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.101 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 49.75 99.52 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.535 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.1 t -98.27 99.12 10.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.858 0.361 . . . . 0.0 110.817 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -89.7 70.65 7.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -161.88 117.31 2.0 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.9 mp0 -75.12 86.32 2.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.404 HG22 ' CZ ' ' A' ' 51' ' ' TYR . 80.6 mt -68.82 113.98 5.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.158 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 22.1 mmt-85 -98.34 127.37 44.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.425 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 9.9 m-85 -102.05 141.68 34.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 27.2 pt -141.33 178.15 3.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.106 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.527 ' CE1' ' HG2' ' A' ' 62' ' ' LYS . 42.4 m-85 -79.38 139.13 37.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -69.11 -176.4 13.22 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.467 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.58 154.85 21.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.779 0.323 . . . . 0.0 111.073 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 55.34 52.28 11.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 85.1 t -113.9 112.67 41.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -46.67 144.51 3.51 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.552 0.691 . . . . 0.0 111.096 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -30.03 22.78 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.67 2.247 . . . . 0.0 112.366 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.24 -36.0 82.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.067 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 24.7 m -70.2 -43.23 71.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.158 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.527 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 36.0 mtmt -67.52 -30.98 70.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -76.84 -38.06 54.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 43.8 mt -76.61 -34.43 58.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.946 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.487 ' CZ ' HD23 ' A' ' 80' ' ' LEU . 96.1 m-85 -112.64 125.85 54.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.56 130.37 44.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.133 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 41.1 tp -109.87 137.2 47.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -100.97 118.2 36.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.425 ' ND2' ' O ' ' A' ' 51' ' ' TYR . 1.0 OUTLIER -82.06 2.78 29.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.4 p -113.6 -23.6 9.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.169 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 63.8 p -124.64 -12.02 7.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 56.74 39.48 87.0 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.481 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 20.8 tp -120.62 131.69 54.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.773 0.321 . . . . 0.0 110.883 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 70.4 mt -101.72 128.64 53.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.14 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 31.8 p -129.2 159.48 35.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 97.7 t -72.31 106.17 2.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -79.06 -35.45 42.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 33.7 mtt-85 -145.9 164.83 30.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.9 t -58.5 146.35 35.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.816 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.487 HD23 ' CZ ' ' A' ' 65' ' ' PHE . 5.1 mt -109.92 152.72 25.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -130.65 158.37 40.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.835 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.424 ' O ' ' N ' ' A' ' 84' ' ' GLU . 11.1 mtt180 -100.4 -38.51 8.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -41.95 -24.86 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 82' ' ' ARG . 2.0 tm-20 -99.35 -65.34 0.97 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.509 HG23 ' CE1' ' A' ' 88' ' ' HIS . 10.4 t -137.69 121.32 17.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.146 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -78.39 -44.44 24.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.118 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 88.8 mt -109.91 138.52 37.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.509 ' CE1' HG23 ' A' ' 85' ' ' THR . 25.1 m-70 -114.93 118.42 33.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -103.14 105.08 15.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 57.3 t -114.54 129.78 70.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.124 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 14.8 m -113.47 129.53 56.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 59.8 t -106.93 145.77 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.4 ' CD2' ' HD3' ' A' ' 103' ' ' ARG . 53.9 mt -119.47 129.23 54.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -120.84 119.31 32.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 35.4 t -120.4 130.2 54.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.828 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -122.13 -55.21 1.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.894 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -172.72 48.5 0.17 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.529 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.3 t -134.02 172.02 13.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.872 0.368 . . . . 0.0 110.878 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 29.3 t -62.34 -61.94 2.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.475 ' CG2' ' HD2' ' A' ' 101' ' ' PRO . 83.4 m -110.49 139.19 21.3 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.576 0.703 . . . . 0.0 111.162 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.475 ' HD2' ' CG2' ' A' ' 100' ' ' THR . 53.4 Cg_endo -69.76 177.51 5.51 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.695 2.263 . . . . 0.0 112.295 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -98.43 129.17 45.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.4 ' HD3' ' CD2' ' A' ' 93' ' ' LEU . 12.2 mmt85 -90.62 144.48 25.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.478 ' HB1' ' CE2' ' A' ' 14' ' ' PHE . . . -145.64 118.39 8.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.093 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 26.1 m -102.84 132.91 48.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.14 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 47.7 t -126.24 122.74 62.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.074 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 25.5 m -95.1 107.81 19.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 41.2 mt -101.42 102.54 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -85.11 129.16 34.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.442 ' CG1' ' HB3' ' A' ' 25' ' ' GLU . 92.4 t -95.76 118.23 41.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.127 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 68.2 p -97.13 155.96 16.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.08 173.92 3.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.439 ' CG1' ' HB2' ' A' ' 24' ' ' PRO . 2.8 m -146.32 120.11 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.125 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 26.5 m-20 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.918 179.969 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.7 p -126.83 172.81 10.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.856 0.36 . . . . 0.0 110.868 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.0 t -80.16 111.57 16.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.821 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.24 156.66 15.86 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.437 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.9 p -92.89 2.33 56.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.881 0.372 . . . . 0.0 110.848 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 t -127.07 88.93 2.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.4 101.3 0.37 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.515 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.496 ' N ' HD21 ' A' ' 8' ' ' ASN . 0.1 OUTLIER -142.71 151.16 41.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.85 0.357 . . . . 0.0 110.846 -179.879 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -75.5 -59.82 2.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 47.92 38.49 9.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -144.67 150.51 47.21 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.598 0.714 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 106.1 1.61 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.695 2.263 . . . . 0.0 112.34 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 84.1 t -85.93 137.01 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.568 ' CD2' ' HB1' ' A' ' 104' ' ' ALA . 7.7 m-85 -86.18 149.29 25.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.7 ttpt -63.75 -50.93 67.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.8 mp0 -138.58 110.42 7.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -47.55 -54.71 10.34 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.49 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -120.03 136.91 54.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.84 0.353 . . . . 0.0 110.917 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 52.1 t -147.13 125.95 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -95.14 132.66 39.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.1 m -128.46 149.26 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -112.3 105.79 14.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.478 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 8.8 tt -120.75 136.04 25.16 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.679 0.752 . . . . 0.0 111.103 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.478 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.4 Cg_endo -69.78 162.46 41.98 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.699 2.266 . . . . 0.0 112.318 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -82.7 -19.15 38.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.879 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.414 ' O ' ' CG ' ' A' ' 26' ' ' ASN . 33.0 t30 -105.19 19.3 20.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.58 143.88 66.18 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.593 0.711 . . . . 0.0 111.089 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 149.24 66.93 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.686 2.257 . . . . 0.0 112.32 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.4 t -69.85 117.25 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.065 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 118.62 1.47 15.3 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.7 m -67.17 153.19 44.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.811 0.339 . . . . 0.0 111.1 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.9 p -93.26 121.24 34.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 89.7 t -91.43 -70.18 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.408 HG13 ' N ' ' A' ' 35' ' ' GLN . 4.3 tp -136.91 141.32 40.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.408 ' N ' HG13 ' A' ' 34' ' ' ILE . 23.2 tt0 -113.08 97.9 6.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 34.1 mt -88.51 136.76 32.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -136.14 127.74 28.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -132.58 133.19 43.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.068 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.7 p -128.92 161.38 30.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -143.95 152.87 41.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.99 76.12 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -103.94 92.24 4.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.0 pt -98.65 93.11 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 134.21 -56.42 0.72 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.4 m -125.66 118.36 25.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.881 0.372 . . . . 0.0 110.872 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -71.82 133.15 45.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 49' ' ' ILE . . . -103.39 92.31 4.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.095 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -53.0 87.76 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 47' ' ' ALA . 70.0 mt -61.95 118.47 4.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.143 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.446 ' CD ' ' O ' ' A' ' 69' ' ' ASN . 17.7 mmt85 -96.28 143.44 27.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.526 ' CD1' ' CA ' ' A' ' 72' ' ' GLY . 65.6 m-85 -113.28 113.85 25.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 20.4 pt -120.58 160.47 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.113 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -67.26 131.71 46.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -57.94 -166.96 0.12 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.14 155.81 16.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.748 0.309 . . . . 0.0 111.086 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 60.7 42.11 14.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 93.0 t -106.91 117.47 52.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.119 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -48.04 146.56 4.17 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.534 0.683 . . . . 0.0 111.141 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -36.41 10.83 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.677 2.252 . . . . 0.0 112.34 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.98 -47.58 84.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.075 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 43.3 m -59.03 -41.65 88.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.7 mtmt -68.2 -27.21 66.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.862 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 40.5 mtm180 -74.06 -52.41 12.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -59.5 -51.34 70.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.953 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.555 ' CZ ' HD22 ' A' ' 80' ' ' LEU . 73.8 m-85 -104.47 134.49 47.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -107.67 130.98 54.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.1 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 30.9 tp -93.93 121.91 35.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -82.81 111.02 18.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.446 ' O ' ' CD ' ' A' ' 50' ' ' ARG . 1.2 m120 -83.64 18.92 1.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 27.3 p -117.66 -28.88 5.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 34.4 p -126.53 -26.11 3.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.136 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.526 ' CA ' ' CD1' ' A' ' 51' ' ' TYR . . . 89.46 25.53 27.91 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.523 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.455 ' CD2' HG22 ' A' ' 75' ' ' THR . 7.1 tt -110.87 149.0 31.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.773 0.32 . . . . 0.0 110.934 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.407 ' CG2' ' HB3' ' A' ' 65' ' ' PHE . 99.6 mt -111.9 123.86 68.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.163 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.455 HG22 ' CD2' ' A' ' 73' ' ' LEU . 5.2 p -119.27 172.45 7.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 47.4 t -80.52 112.96 19.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -78.02 -40.13 39.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.958 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 61.1 mtt180 -151.21 173.51 14.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.4 t -58.72 134.31 56.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.555 HD22 ' CZ ' ' A' ' 65' ' ' PHE . 3.6 mt -89.96 155.77 18.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.931 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -122.13 114.74 21.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.811 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.462 ' CG ' HG13 ' A' ' 110' ' ' VAL . 3.3 tmm_? -72.65 -49.17 33.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -44.92 -34.85 2.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -79.38 -63.76 1.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.5 t -131.58 133.39 44.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.121 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -97.51 -29.56 13.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 47.4 mt -124.27 132.42 71.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 34.8 m-70 -112.36 145.19 40.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -126.68 108.69 11.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.956 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.432 HG13 ' N ' ' A' ' 91' ' ' THR . 50.4 t -121.88 138.57 51.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.161 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.432 ' N ' HG13 ' A' ' 90' ' ' VAL . 23.0 m -119.37 118.3 30.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 49.3 t -99.46 107.78 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.45 ' CD1' ' HG2' ' A' ' 101' ' ' PRO . 4.2 mm? -84.44 142.7 29.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -118.48 112.83 20.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.3 t -129.64 137.24 50.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.873 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -133.14 1.36 3.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.833 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 128.51 47.98 0.16 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.478 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 56.8 m -152.06 -175.04 5.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.929 0.395 . . . . 0.0 110.817 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 100' ' ' THR . 17.8 t -51.84 -175.98 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.881 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.448 ' C ' ' O ' ' A' ' 99' ' ' SER . 52.4 m -34.08 136.52 0.34 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.639 0.733 . . . . 0.0 111.15 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.45 ' HG2' ' CD1' ' A' ' 93' ' ' LEU . 53.8 Cg_endo -69.79 163.65 37.49 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.72 2.28 . . . . 0.0 112.353 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -68.47 136.96 54.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.08 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 24.6 mtt180 -97.75 124.64 42.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.926 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.568 ' HB1' ' CD2' ' A' ' 14' ' ' PHE . . . -135.18 116.1 14.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.108 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 88.6 m -95.55 137.75 34.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 81.3 t -130.1 102.92 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 6.5 m -72.16 128.32 35.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 33.6 mt -119.84 101.55 11.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -84.76 133.41 34.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.462 HG13 ' CG ' ' A' ' 82' ' ' ARG . 86.5 t -93.58 121.49 44.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.098 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 72.3 p -107.12 147.84 29.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.15 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -66.61 160.27 25.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 15.4 m -118.8 -22.43 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.947 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -85.98 159.39 19.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.856 0.36 . . . . 0.0 110.854 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 t -86.64 42.74 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.83 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.77 163.38 23.56 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.512 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.7 t -106.37 164.05 12.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.917 0.389 . . . . 0.0 110.83 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.3 m -132.06 169.58 16.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.18 76.24 0.61 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.481 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -143.66 110.43 5.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.84 0.352 . . . . 0.0 110.885 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.6 157.32 38.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 42.0 m-20 -95.04 30.4 2.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -82.06 138.67 45.91 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.594 0.711 . . . . 0.0 110.863 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 127.15 14.19 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.685 2.256 . . . . 0.0 112.37 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.2 p -104.52 126.43 59.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.43 ' O ' ' C ' ' A' ' 15' ' ' LYS . 22.7 m-85 -75.7 117.46 17.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 14' ' ' PHE . 49.9 tttt -36.14 -53.87 0.79 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -127.8 126.53 41.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.09 -70.32 1.27 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.464 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -105.59 120.15 40.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.822 0.344 . . . . 0.0 110.929 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 20.5 t -131.94 135.88 57.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -106.22 127.68 53.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 18.5 m -127.54 147.74 32.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.496 ' O ' ' CG ' ' A' ' 22' ' ' HIS . 27.0 p-80 -110.96 116.54 31.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.842 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.473 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 2.8 tt -134.05 136.94 27.18 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.658 0.742 . . . . 0.0 111.119 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.473 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.6 Cg_endo -69.74 144.4 54.01 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.697 2.264 . . . . 0.0 112.327 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -59.36 -35.25 73.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 39.1 t30 -91.15 29.4 1.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.27 143.96 97.59 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.569 0.7 . . . . 0.0 111.109 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 135.68 31.12 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.704 2.269 . . . . 0.0 112.293 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 77.7 t -60.65 126.21 18.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.105 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.93 12.29 20.83 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.515 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 24.7 m -87.4 121.72 30.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.752 0.31 . . . . 0.0 111.127 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 97.6 p -70.69 105.03 3.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.8 t -73.9 -55.91 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.147 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.4 tt -145.03 142.94 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.114 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -114.25 107.01 15.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.0 mt -91.28 121.86 33.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.4 t-160 -121.34 108.04 13.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -107.1 99.92 9.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.081 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.8 p -104.23 153.9 20.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -127.92 -53.72 1.31 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -160.39 171.35 19.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.075 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.57 70.38 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' A' ' 45' ' ' SER . 11.9 pt -98.91 89.36 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.9 85.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.455 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 43' ' ' ILE . 70.1 m 51.21 52.82 14.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.913 0.387 . . . . 0.0 110.926 -179.721 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -100.6 -43.97 6.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 49' ' ' ILE . . . -129.63 87.19 2.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -50.18 87.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.496 ' N ' ' O ' ' A' ' 47' ' ' ALA . 10.4 mt -55.78 112.47 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 45.2 mmm-85 -89.39 150.96 22.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -126.74 124.23 39.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 20.9 pt -133.24 171.2 18.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.107 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.531 ' CE1' HD23 ' A' ' 67' ' ' LEU . 60.8 m-85 -78.84 144.23 35.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -73.5 -168.29 14.97 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.489 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -89.83 158.53 17.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.757 0.313 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 61.02 41.81 13.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 87.0 t -109.25 128.63 65.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.09 144.83 99.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.593 0.711 . . . . 0.0 111.139 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -44.09 2.25 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.664 2.243 . . . . 0.0 112.308 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.21 -48.02 62.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.129 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.465 HG22 ' CG2' ' A' ' 90' ' ' VAL . 40.8 m -59.79 -37.79 80.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.162 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -72.23 -29.6 64.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 41.2 mtm-85 -74.62 -49.82 20.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.453 HD23 ' CZ ' ' A' ' 78' ' ' ARG . 91.3 mt -67.24 -36.87 82.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -109.2 121.79 45.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.36 137.29 32.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.531 HD23 ' CE1' ' A' ' 53' ' ' PHE . 53.3 tp -111.8 132.31 54.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -95.59 138.57 33.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -101.71 5.03 41.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 43.1 p -117.79 -27.06 6.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.139 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.7 p -123.28 -18.35 6.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.127 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 63.41 23.98 67.14 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.462 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 17.3 tp -96.99 121.91 39.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.788 0.328 . . . . 0.0 110.923 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 73.4 mt -89.35 125.91 42.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 31.3 p -131.14 166.65 20.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.164 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 91.8 t -78.2 126.08 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -96.13 -40.45 9.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.453 ' CZ ' HD23 ' A' ' 64' ' ' LEU . 5.3 mtm105 -143.28 166.26 25.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 48.8 p -50.47 151.31 2.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.8 mt -110.23 149.79 29.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.936 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -122.98 137.13 55.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 84' ' ' GLU . 51.1 ttp85 -100.22 -42.75 6.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -39.01 -28.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 82' ' ' ARG . 6.2 tp10 -96.02 -60.02 1.72 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.856 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.437 HG21 ' CE1' ' A' ' 88' ' ' HIS . 13.3 t -136.6 130.68 32.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.168 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -99.59 -9.82 22.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.4 HG21 ' N ' ' A' ' 88' ' ' HIS . 86.9 mt -130.77 140.09 49.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.437 ' CE1' HG21 ' A' ' 85' ' ' THR . 74.0 m-70 -126.51 133.18 51.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.9 mmtp -117.14 123.17 46.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.465 ' CG2' HG22 ' A' ' 61' ' ' THR . 44.1 t -134.65 137.81 50.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 16.8 m -118.42 137.25 53.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 87.2 t -112.67 146.75 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 76.4 mt -115.3 120.58 40.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.42 ' HB2' ' CZ ' ' A' ' 14' ' ' PHE . . . -103.36 135.17 45.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.063 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 27.5 t -145.79 132.67 20.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -130.67 -36.21 1.42 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -178.42 29.58 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.52 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.5 m -116.05 -177.15 3.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.884 0.373 . . . . 0.0 110.873 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.3 m -74.39 -75.09 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.6 p -101.93 139.03 19.97 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.619 0.723 . . . . 0.0 111.141 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 169.81 18.06 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.687 2.258 . . . . 0.0 112.343 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.422 ' HB1' ' CE2' ' A' ' 14' ' ' PHE . . . -85.9 156.83 20.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.077 179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 29.7 mtp180 -119.65 133.22 55.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -145.99 115.02 6.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 86.5 m -85.43 140.57 30.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 89.1 t -124.87 108.21 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.124 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 6.4 m -83.63 112.37 19.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.088 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 16.1 mt -108.84 111.01 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.099 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 52.9 m-20 -84.35 136.58 33.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 78.5 t -102.81 124.15 56.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 81.1 p -111.58 175.73 5.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.167 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.6 -177.02 6.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.872 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -141.65 118.52 7.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.15 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.2 p -113.25 -40.04 4.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.875 0.369 . . . . 0.0 110.848 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.3 m -49.49 132.55 20.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.65 48.84 0.71 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.469 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.8 m -98.29 157.1 16.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.861 0.362 . . . . 0.0 110.887 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.6 m -89.05 160.89 16.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.838 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.0 77.04 2.16 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.517 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -129.15 42.49 3.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.856 0.36 . . . . 0.0 110.883 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -52.59 147.68 8.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.821 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -170.21 132.29 1.04 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -90.0 143.68 30.27 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.571 0.7 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 141.47 45.58 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.745 2.297 . . . . 0.0 112.333 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -115.54 149.25 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.427 ' CE1' HD13 ' A' ' 36' ' ' LEU . 33.4 m-85 -97.56 137.01 37.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.6 ptmm? -58.6 -41.58 86.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -143.28 135.87 27.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -84.45 -98.82 0.64 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.507 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -76.29 115.88 16.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.856 0.36 . . . . 0.0 110.904 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 49.0 t -138.31 124.85 26.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.147 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -88.74 142.79 27.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 18.8 m -132.99 158.49 43.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.083 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.532 ' O ' ' CG ' ' A' ' 22' ' ' HIS . 6.7 p-80 -121.44 117.35 26.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.879 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.468 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 10.6 tt -139.99 135.85 16.75 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.582 0.706 . . . . 0.0 111.132 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.468 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 54.0 Cg_endo -69.72 143.02 49.69 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.646 2.231 . . . . 0.0 112.345 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -60.01 -30.63 69.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -91.0 16.29 9.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.46 143.06 28.77 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.563 0.697 . . . . 0.0 111.12 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 133.25 25.15 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.674 2.249 . . . . 0.0 112.363 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.2 t -60.72 117.21 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.135 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 117.73 16.0 6.08 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.495 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.6 m -89.84 132.75 35.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.813 0.339 . . . . 0.0 111.165 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.9 p -75.23 114.52 13.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 51.2 t -85.09 -62.64 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.159 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 17.2 tt -142.68 154.28 17.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -130.7 128.9 41.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.427 HD13 ' CE1' ' A' ' 14' ' ' PHE . 73.1 mt -107.42 139.31 42.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.401 ' CD2' HG21 ' A' ' 39' ' ' THR . 3.0 t-160 -127.34 118.78 24.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -122.95 95.82 4.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.401 HG21 ' CD2' ' A' ' 37' ' ' HIS . 70.7 p -91.98 116.03 28.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.01 -55.84 3.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -151.91 113.37 4.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.071 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -92.64 -53.78 4.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.9 tt -74.69 96.17 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 134.47 -96.67 0.28 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.452 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.4 m -111.39 168.01 9.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.889 0.376 . . . . 0.0 110.864 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 29.8 t30 -140.98 116.44 10.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -93.15 165.58 12.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.109 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -102.71 91.08 4.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.931 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 58.9 mt -71.6 120.58 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.6 mmm-85 -97.86 139.04 34.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -111.2 105.11 13.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 19.9 pt -104.36 177.28 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.181 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -82.14 147.54 28.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -68.35 -167.64 4.43 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.469 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -99.86 152.51 20.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.778 0.323 . . . . 0.0 111.135 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 61.82 30.13 18.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.924 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 98.2 t -94.78 123.58 46.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.14 152.36 72.0 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.595 0.712 . . . . 0.0 111.085 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -50.75 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.682 2.255 . . . . 0.0 112.366 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -45.37 -34.64 3.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 97.0 m -71.66 -38.79 70.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 34.4 mttt -72.56 -31.21 65.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 -76.13 -64.82 1.01 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 77.6 mt -41.57 -46.23 3.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -95.54 175.23 6.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -139.78 112.61 8.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.071 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 50.7 tp -100.73 137.48 39.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -102.96 133.54 47.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -97.13 8.7 43.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 73.6 p -119.02 -26.72 5.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 21.0 p -122.46 -11.96 8.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.145 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 56.73 42.71 91.54 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.447 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 11.9 tp -120.0 118.46 30.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.791 0.329 . . . . 0.0 110.934 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 73.0 mt -87.0 122.36 38.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 39.7 p -133.28 156.28 47.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.136 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 96.4 t -59.2 134.37 24.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -111.32 -26.98 8.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -159.88 160.72 33.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.9 t -46.13 135.79 7.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.859 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.4 mt -92.66 155.42 17.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -126.96 114.44 17.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 82' ' ' ARG . 8.7 ttp-105 -78.98 -43.21 24.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -39.77 -44.19 1.54 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.9 tp10 -77.31 -56.57 4.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.445 ' CG2' ' CE1' ' A' ' 88' ' ' HIS . 11.8 t -139.39 124.05 18.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -91.12 -19.8 22.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.075 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 96.0 mt -124.61 116.65 48.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.445 ' CE1' ' CG2' ' A' ' 85' ' ' THR . 38.6 m-70 -100.93 112.86 25.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.859 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 41.3 mttp -102.89 105.0 15.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 59.2 t -113.33 132.48 62.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.159 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 61.4 m -114.57 127.5 55.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.13 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 13.2 t -104.57 144.96 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.104 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 66.4 mt -111.2 143.39 42.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -120.19 109.59 15.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.153 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.3 t -117.16 105.52 12.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -109.71 23.59 14.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 103.18 45.46 1.58 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 59.7 p -132.43 161.57 33.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 0.0 110.875 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 62.9 m -43.38 -59.81 1.97 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.469 ' CG2' ' HD2' ' A' ' 101' ' ' PRO . 96.1 m -131.39 138.99 34.0 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.591 0.71 . . . . 0.0 111.119 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . 0.469 ' HD2' ' CG2' ' A' ' 100' ' ' THR . 54.3 Cg_endo -69.69 173.56 10.72 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.689 2.259 . . . . 0.0 112.372 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -84.4 167.11 16.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.088 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 42.0 mtt180 -126.37 127.32 45.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -136.67 118.07 14.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 63.8 m -91.34 136.61 32.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 90.3 t -130.16 101.18 5.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 21.0 m -78.17 127.34 32.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.104 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 25.2 mt -112.95 118.6 58.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.135 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -96.46 116.16 28.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 75.0 t -84.31 120.27 34.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 62.6 p -104.89 162.87 12.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -77.72 170.31 16.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.445 ' CG1' ' HB2' ' A' ' 24' ' ' PRO . 5.1 m -132.91 116.45 26.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 9.1 m120 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.868 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.3 m -143.9 163.21 34.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.906 0.384 . . . . 0.0 110.862 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -106.69 100.29 9.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.41 114.6 0.61 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.472 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.3 t -145.31 152.35 39.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.883 0.373 . . . . 0.0 110.85 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -142.26 153.64 44.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.26 48.09 0.69 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.486 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -57.56 -59.13 5.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.869 0.366 . . . . 0.0 110.867 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -85.46 116.65 23.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -94.2 -32.39 13.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.3 ptp85 -99.45 143.62 26.76 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.616 0.722 . . . . 0.0 110.844 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 153.28 69.26 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.692 2.262 . . . . 0.0 112.36 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.0 p -133.33 137.48 53.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.451 ' CE1' HD13 ' A' ' 36' ' ' LEU . 11.7 m-85 -83.08 133.12 35.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -60.87 -42.31 97.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.851 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -139.25 130.76 27.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.846 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -95.43 -80.5 1.51 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.495 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -93.56 104.02 16.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.815 0.34 . . . . 0.0 110.889 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.436 ' CG1' ' N ' ' A' ' 20' ' ' GLU . 98.6 t -135.31 158.95 40.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.436 ' N ' ' CG1' ' A' ' 19' ' ' VAL . 1.4 mp0 -117.39 139.52 50.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.1 m -131.84 146.75 32.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.097 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.2 m80 -110.23 117.01 32.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.474 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 2.8 tt -143.45 136.54 13.87 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.659 0.743 . . . . 0.0 111.138 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.474 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.8 Cg_endo -69.74 148.58 65.54 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.697 2.264 . . . . 0.0 112.344 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -68.06 -19.73 64.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 27' ' ' ALA . 14.1 t30 -92.7 -2.44 56.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 26' ' ' ASN . . . -35.17 143.83 0.23 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.559 0.695 . . . . 0.0 111.077 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 128.78 16.47 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.667 2.245 . . . . 0.0 112.34 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.4 t -56.88 131.93 20.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.74 9.86 36.66 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . 0.417 HG23 ' N ' ' A' ' 32' ' ' SER . 91.1 m -81.71 144.02 31.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.825 0.345 . . . . 0.0 111.132 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.417 ' N ' HG23 ' A' ' 31' ' ' THR . 1.8 t -86.43 106.77 17.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.6 t -75.59 -68.09 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.108 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.46 HG13 ' N ' ' A' ' 35' ' ' GLN . 8.3 tp -133.54 149.75 31.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.46 ' N ' HG13 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -124.37 120.12 31.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.451 HD13 ' CE1' ' A' ' 14' ' ' PHE . 18.6 mt -102.62 116.51 32.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -113.37 105.92 13.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -109.66 147.72 32.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.101 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 19.4 p -118.78 151.92 37.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -147.03 -178.23 6.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -38.83 98.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.101 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -46.52 -30.81 2.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.509 ' CD1' ' O ' ' A' ' 43' ' ' ILE . 2.6 pp -59.04 116.13 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.182 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.35 87.87 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.501 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.3 t -130.48 80.62 1.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.913 0.387 . . . . 0.0 110.885 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 39.06 43.65 0.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -101.6 118.71 37.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -136.85 106.99 6.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.409 ' C ' ' HD3' ' A' ' 50' ' ' ARG . 70.6 mt -84.27 117.07 29.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.074 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.409 ' HD3' ' C ' ' A' ' 49' ' ' ILE . 0.4 OUTLIER -114.97 157.06 23.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -118.55 137.18 53.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.423 ' CD1' HD13 ' A' ' 93' ' ' LEU . 2.8 pp -143.78 150.82 16.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.146 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.547 ' CZ ' ' HG2' ' A' ' 62' ' ' LYS . 63.2 m-85 -63.8 140.56 58.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.817 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -70.45 -157.44 2.1 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.479 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -95.08 159.99 14.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.733 0.302 . . . . 0.0 111.111 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 21.7 mp0 54.9 47.94 21.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.6 t -109.97 118.6 57.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.99 144.35 48.7 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.554 0.692 . . . . 0.0 111.091 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -49.36 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.649 2.232 . . . . 0.0 112.34 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -45.27 -47.75 12.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 54.2 m -54.16 -40.13 67.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.547 ' HG2' ' CZ ' ' A' ' 53' ' ' PHE . 16.1 mtmm -69.54 -22.88 63.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -78.11 -60.22 2.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.465 ' HB3' ' CD2' ' A' ' 80' ' ' LEU . 1.8 mm? -51.57 -53.19 40.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.549 ' CZ ' HD23 ' A' ' 80' ' ' LEU . 36.8 m-85 -98.16 156.37 16.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -123.67 109.16 13.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.489 ' HB3' ' CE1' ' A' ' 53' ' ' PHE . 7.9 tp -92.85 110.8 22.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.881 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -66.92 118.85 10.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -82.6 17.07 1.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 33.4 m -121.72 -28.49 4.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.091 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 61.3 p -126.44 -25.64 3.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.154 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 84.56 17.64 63.62 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.5 tp -89.45 120.51 30.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.74 0.305 . . . . 0.0 110.935 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 75.9 mt -90.04 127.54 42.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.123 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 15.2 p -137.86 145.05 41.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.187 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 71.9 t -61.57 115.03 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.139 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -87.38 -42.93 12.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -140.57 153.71 46.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 53.1 p -41.89 134.58 2.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.549 HD23 ' CZ ' ' A' ' 65' ' ' PHE . 9.6 mt -87.15 159.33 18.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.19 113.84 13.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.457 ' CZ ' ' HB3' ' A' ' 82' ' ' ARG . 11.8 ttp-105 -75.84 -40.41 54.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -39.59 -29.16 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 82' ' ' ARG . 54.5 mm-40 -85.31 -62.14 1.6 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.659 ' CG2' ' CE1' ' A' ' 88' ' ' HIS . 13.2 t -139.06 137.36 36.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -85.44 -29.0 24.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 54.9 mt -122.8 147.83 26.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.133 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.659 ' CE1' ' CG2' ' A' ' 85' ' ' THR . 59.2 m-70 -127.47 120.9 29.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -102.81 116.87 33.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 15.2 t -121.92 129.22 75.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.128 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 58.9 m -108.09 130.56 55.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.113 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 46.1 t -111.55 133.87 55.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.423 HD13 ' CD1' ' A' ' 52' ' ' ILE . 80.5 mt -118.49 120.41 37.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -99.04 131.7 44.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 92.9 p -137.13 116.48 12.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -93.73 -51.56 4.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -160.28 -100.31 0.16 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.504 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.1 m -105.95 85.38 2.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.88 0.372 . . . . 0.0 110.845 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.4 t -174.05 158.18 3.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.865 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 39.1 m -66.65 130.33 94.07 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.624 0.725 . . . . 0.0 111.116 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 144.14 52.98 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.701 2.267 . . . . 0.0 112.314 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -82.22 154.32 25.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.089 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.417 ' HB2' ' NH1' ' A' ' 103' ' ' ARG . 25.7 mtm105 -123.68 134.19 53.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.823 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -151.0 120.12 6.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.104 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 91.9 m -101.2 121.9 42.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.101 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 92.7 t -100.95 119.96 49.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.193 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 73.7 m -88.85 117.89 28.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.148 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 17.3 mt -109.97 110.1 30.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -85.38 129.82 34.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 72.3 t -94.97 120.48 44.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 30.5 p -107.08 149.67 27.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.128 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -66.88 159.28 28.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.423 ' CG1' ' HB3' ' A' ' 26' ' ' ASN . 16.9 m -113.5 -31.22 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.122 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 2.8 m120 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.6 t -105.92 -54.67 2.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.865 0.364 . . . . 0.0 110.839 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.1 m -45.77 103.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.856 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.61 96.99 0.3 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.486 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.1 m -132.61 163.11 29.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.908 0.385 . . . . 0.0 110.85 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.5 p -165.37 150.53 9.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.27 -132.86 4.18 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.478 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -158.52 142.91 15.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.799 0.333 . . . . 0.0 110.945 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -170.43 161.92 8.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -108.75 -20.83 12.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.1 ptt-85 -132.01 143.77 50.4 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.579 0.704 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 151.44 69.05 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.676 2.251 . . . . 0.0 112.337 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 37.1 t -122.64 141.12 44.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.507 ' CZ ' ' HB3' ' A' ' 94' ' ' ALA . 39.8 m-85 -88.37 166.43 14.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -62.87 -41.22 99.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -151.48 127.23 10.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -41.84 -45.77 4.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.47 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.524 ' N ' ' CD ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -143.94 137.91 28.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.862 0.363 . . . . 0.0 110.875 -179.882 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.7 t -122.92 140.98 44.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.097 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -108.86 110.26 21.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.932 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 34.0 m -105.05 157.95 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -124.63 103.29 8.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.475 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 7.0 tt -124.31 136.02 27.18 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.591 0.71 . . . . 0.0 111.1 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.475 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.1 Cg_endo -69.82 154.6 67.31 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.717 2.278 . . . . 0.0 112.33 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -68.36 -34.45 76.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -89.76 24.86 2.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.47 142.85 93.79 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.605 0.717 . . . . 0.0 111.077 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 135.73 31.19 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.691 2.261 . . . . 0.0 112.326 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.0 t -59.63 137.17 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.144 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.56 -9.54 52.78 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.0 m -67.65 134.26 50.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.343 . . . . 0.0 111.085 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 3.9 m -84.84 106.5 16.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 67.4 t -68.45 -69.53 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.11 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.3 tt -139.16 140.81 37.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -127.08 110.4 12.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.955 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.497 HD23 ' CD1' ' A' ' 14' ' ' PHE . 5.0 mp -71.93 140.42 49.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -113.13 108.89 17.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -132.87 106.77 7.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 71.8 p -104.01 157.35 17.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -133.84 92.46 2.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.65 -65.17 1.04 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.08 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -87.55 -45.33 10.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 3.9 tp -51.16 110.8 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 45' ' ' SER . . . 53.37 98.61 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.508 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 44' ' ' GLY . 62.4 m -35.84 -53.66 0.74 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.904 0.383 . . . . 0.0 110.882 -179.717 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -119.33 106.95 12.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.3 130.87 14.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.074 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -100.47 81.13 2.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 12.4 mt -49.42 100.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.108 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 18.4 mtt180 -101.43 143.84 30.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.458 ' N ' ' CD1' ' A' ' 51' ' ' TYR . 0.5 OUTLIER -109.51 144.55 37.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.851 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.462 HG21 ' ND2' ' A' ' 69' ' ' ASN . 29.5 pt -142.78 177.23 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.091 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -76.1 145.8 39.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -66.86 -159.84 0.92 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.454 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -103.23 151.65 22.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.754 0.312 . . . . 0.0 111.096 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 55.67 41.47 30.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 99.3 t -95.95 127.54 47.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.51 147.04 83.93 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.598 0.713 . . . . 0.0 111.094 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -40.89 4.8 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.698 2.266 . . . . 0.0 112.315 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.93 -45.91 64.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.077 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 49.3 m -59.58 -40.11 86.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.182 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -70.81 -17.1 62.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 56.6 mtt-85 -90.35 -26.48 19.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.49 ' O ' ' N ' ' A' ' 77' ' ' GLN . 33.6 mt -87.25 -37.25 17.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.474 ' CE2' HD23 ' A' ' 80' ' ' LEU . 66.2 m-85 -114.5 127.02 55.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.24 113.59 26.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.135 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.8 tp -103.8 142.0 35.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.95 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -98.11 149.07 22.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.914 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.462 ' ND2' HG21 ' A' ' 52' ' ' ILE . 1.3 m-20 -104.86 7.27 34.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.5 p -116.53 -26.72 6.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 16.9 p -117.32 -23.14 7.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.164 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 73.0 35.11 58.11 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.549 ' C ' ' CD1' ' A' ' 73' ' ' LEU . 0.3 OUTLIER -108.86 144.72 36.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.773 0.32 . . . . 0.0 110.924 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.484 ' N ' ' CD2' ' A' ' 73' ' ' LEU . 68.5 mt -115.3 110.13 30.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.151 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' THR . . . . . 0.45 ' CG2' HD13 ' A' ' 73' ' ' LEU . 3.0 p -104.56 -178.9 3.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 84.5 t -94.06 104.5 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.49 ' N ' ' O ' ' A' ' 64' ' ' LEU . 23.4 tt0 -65.01 -43.47 92.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.927 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.472 ' CG ' HD22 ' A' ' 64' ' ' LEU . 6.3 ptt180 -156.22 168.83 26.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.7 t -51.74 138.4 23.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.474 HD23 ' CE2' ' A' ' 65' ' ' PHE . 7.5 mt -101.06 130.82 47.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -99.11 124.67 44.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.9 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 39.6 ttp85 -82.27 -24.07 34.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -64.05 -11.69 31.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -117.53 -54.04 2.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.4 t -131.49 92.04 3.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.167 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.46 -28.82 69.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.171 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 44.9 mt -131.58 143.7 39.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.114 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -117.38 140.18 49.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -124.04 105.0 9.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 44.9 t -118.17 119.25 60.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 26.1 m -94.69 118.45 31.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 94.6 t -99.48 136.16 31.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 34.1 mt -115.14 130.98 57.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.507 ' HB3' ' CZ ' ' A' ' 14' ' ' PHE . . . -113.32 108.65 17.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.121 179.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.0 t -104.06 120.67 41.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.95 -57.01 2.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.85 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 157.24 150.05 5.59 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.7 t 41.93 28.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 0.0 110.829 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.5 t -159.57 151.02 19.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.838 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 41.5 p -69.2 142.78 93.12 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.6 0.714 . . . . 0.0 111.163 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 157.19 61.22 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.662 2.241 . . . . 0.0 112.344 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -87.97 172.73 9.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 36.8 mtm-85 -123.5 117.84 26.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -119.85 122.05 40.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.054 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 86.3 m -100.24 115.61 30.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.161 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 71.4 t -102.31 117.2 47.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 61.3 m -98.5 106.41 18.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.172 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 48.1 mt -102.2 107.43 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.106 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -89.57 134.16 34.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 70.5 t -97.06 104.63 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.064 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 21.0 p -94.3 159.91 14.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.082 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -65.24 168.42 6.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.402 ' CG1' ' HB2' ' A' ' 24' ' ' PRO . 11.5 m -122.8 -33.82 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.15 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 22.5 t30 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.981 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 t -89.69 86.21 6.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.883 0.373 . . . . 0.0 110.85 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.2 p -110.93 172.05 7.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.8 75.16 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.495 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.7 p -46.18 166.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.874 0.368 . . . . 0.0 110.855 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.8 p -170.98 133.41 0.9 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.8 -175.12 35.17 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.473 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -89.56 -51.4 5.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.371 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -105.96 125.5 51.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -103.36 90.48 3.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -142.91 143.26 24.58 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.601 0.715 . . . . 0.0 110.878 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 86.21 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.692 2.261 . . . . 0.0 112.355 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.4 m -72.97 139.72 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.473 ' CD1' HD11 ' A' ' 36' ' ' LEU . 29.9 m-85 -95.51 150.29 20.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.9 tppt? -40.56 -56.88 1.98 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -143.06 169.58 17.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.4 ' C ' ' OE1' ' A' ' 18' ' ' GLN . . . -76.78 -73.11 1.05 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.4 ' OE1' ' C ' ' A' ' 17' ' ' GLY . 4.1 mp0 -120.03 126.34 50.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.82 0.343 . . . . 0.0 110.876 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 41.6 t -128.02 113.71 31.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -86.49 133.04 33.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 18.8 m -127.39 154.74 38.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.129 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.536 ' O ' ' CG ' ' A' ' 22' ' ' HIS . 20.5 p-80 -119.65 115.55 24.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.473 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 1.8 tt -133.5 137.28 28.61 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.588 0.709 . . . . 0.0 111.141 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.473 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.6 Cg_endo -69.81 150.88 68.49 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.681 2.254 . . . . 0.0 112.349 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -64.26 -39.53 94.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -85.51 20.92 1.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.56 142.69 15.24 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.601 0.715 . . . . 0.0 111.138 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.73 135.8 31.45 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.675 2.25 . . . . 0.0 112.336 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 72.1 t -60.42 122.54 11.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.158 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.32 16.02 9.97 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.458 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.4 m -90.8 112.6 24.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.82 0.343 . . . . 0.0 111.114 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 73.2 m -65.55 107.95 1.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 54.8 t -77.91 -60.02 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.402 HG13 ' N ' ' A' ' 35' ' ' GLN . 5.0 tp -141.27 143.7 27.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . 0.402 ' N ' HG13 ' A' ' 34' ' ' ILE . 53.0 tt0 -124.41 100.58 6.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.473 HD11 ' CD1' ' A' ' 14' ' ' PHE . 3.5 mm? -71.06 112.95 7.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.867 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -111.2 106.02 14.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -114.32 98.51 6.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.8 p -127.5 135.73 50.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.04 -52.89 4.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -128.69 45.84 2.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.9 t0 38.54 37.62 0.19 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.9 pt -102.85 101.51 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.169 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 45' ' ' SER . . . -84.62 -41.69 7.66 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.496 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 44' ' ' GLY . 32.7 p -34.85 -58.76 0.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.916 0.388 . . . . 0.0 110.825 -179.722 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -121.65 -175.87 3.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.849 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.418 ' O ' ' N ' ' A' ' 49' ' ' ILE . . . 69.82 26.95 4.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.053 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -58.43 84.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.418 ' N ' ' O ' ' A' ' 47' ' ' ALA . 55.7 mt -60.42 139.93 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.101 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -98.94 141.15 32.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -116.59 130.01 56.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.954 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 12.5 pt -130.61 168.54 23.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.135 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.476 ' CZ ' ' HB3' ' A' ' 67' ' ' LEU . 50.0 m-85 -78.73 140.4 38.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -64.35 -170.72 2.17 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.46 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.72 157.13 16.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.767 0.318 . . . . 0.0 111.121 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 63.8 33.7 12.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.2 t -103.67 115.5 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.123 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -51.9 157.35 2.1 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.599 0.714 . . . . 0.0 111.141 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.411 ' HA ' ' NZ ' ' A' ' 62' ' ' LYS . 53.8 Cg_endo -69.75 -44.38 2.12 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.696 2.264 . . . . 0.0 112.345 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 63' ' ' ARG . . . -48.03 -66.23 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.089 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 94.8 m -41.07 -25.29 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.161 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 60' ' ' ALA . 5.5 mtmp? -92.82 -33.63 14.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' A' ' 60' ' ' ALA . 17.6 ptt85 -69.95 -30.71 68.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 89.7 mt -83.7 -50.88 7.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.946 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -99.99 134.08 43.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -107.89 128.98 55.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.06 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.476 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 7.9 tp -112.53 136.81 51.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 24.3 m-20 -96.05 129.48 43.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -85.83 3.19 42.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 32.3 p -113.77 -28.43 7.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 41.8 p -117.64 -20.44 8.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.104 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 63.68 52.06 48.89 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.462 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 21.1 tp -126.45 141.73 51.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.75 0.31 . . . . 0.0 110.91 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 95.6 mt -113.7 121.26 65.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 34.4 p -126.24 169.23 13.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.188 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 88.8 t -80.46 107.74 13.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -78.76 -40.15 34.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 65.8 mtp180 -146.39 171.03 15.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.4 t -57.58 156.32 8.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.7 mt -116.0 155.62 27.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.939 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -134.11 134.07 41.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 16.3 mtp180 -83.81 -34.56 24.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -47.4 -24.35 0.78 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -101.2 -58.84 1.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.416 HG23 ' CE1' ' A' ' 88' ' ' HIS . 11.5 t -136.12 126.28 26.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.123 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -91.57 -34.68 14.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 31.9 mt -117.07 136.32 54.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.095 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.416 ' CE1' HG23 ' A' ' 85' ' ' THR . 60.9 m-70 -112.62 123.52 50.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -112.16 107.71 16.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 22.3 t -117.02 131.31 70.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 19.6 m -114.16 121.19 43.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 85.6 t -99.81 133.34 43.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 10.8 mt -114.17 138.38 50.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.428 ' HB3' ' CZ ' ' A' ' 14' ' ' PHE . . . -129.99 125.3 35.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.085 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.6 t -135.31 135.3 40.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -124.3 -41.93 2.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.866 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -177.08 34.89 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.445 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 89.6 p -115.02 166.97 11.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.859 0.361 . . . . 0.0 110.881 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 53.0 p -72.53 -45.78 57.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 51.7 m -116.47 121.99 32.51 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.559 0.695 . . . . 0.0 111.161 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 165.6 30.43 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.647 2.232 . . . . 0.0 112.359 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -94.05 138.98 31.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -114.66 137.3 52.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -132.67 115.66 15.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 17.0 m -90.04 125.39 35.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.153 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 98.5 t -119.91 101.02 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.173 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 87.9 m -72.25 130.69 41.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 30.5 mt -125.67 106.72 16.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.102 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -88.6 124.92 34.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 47.6 t -91.25 122.6 42.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.126 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 28.3 p -109.73 163.37 13.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -70.45 -177.25 1.42 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -131.92 116.48 30.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.901 -179.995 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t 71.43 41.86 0.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.9 0.381 . . . . 0.0 110.863 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.9 m -103.66 141.27 36.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 51.82 86.58 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.474 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.4 m -99.35 102.11 13.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.898 0.38 . . . . 0.0 110.848 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.0 t -54.83 96.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.821 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 8' ' ' ASN . . . 67.6 -107.71 2.15 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.502 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 7' ' ' GLY . 32.2 t30 35.04 40.54 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.82 0.343 . . . . 0.0 110.888 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -108.57 43.82 1.2 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.811 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -95.29 82.67 3.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.8 ptt180 -71.88 148.35 92.06 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.601 0.715 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 152.14 69.25 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.676 2.251 . . . . 0.0 112.343 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 45.8 t -134.15 116.61 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -65.56 157.8 28.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.889 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.413 ' C ' ' HG2' ' A' ' 16' ' ' GLU . 12.8 tptm -43.88 -55.53 4.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.413 ' HG2' ' C ' ' A' ' 15' ' ' LYS . 48.8 mm-40 -149.13 143.12 25.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -49.42 -94.8 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.514 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.402 ' C ' HG22 ' A' ' 19' ' ' VAL . 23.3 mt-30 -87.37 126.61 34.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 110.904 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.402 HG22 ' C ' ' A' ' 18' ' ' GLN . 43.4 t -136.4 125.01 36.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.122 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -96.41 138.09 34.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.1 m -124.32 165.47 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.098 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 11.4 m80 -122.66 131.29 53.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.865 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.476 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 11.4 tt -151.84 136.0 9.94 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.658 0.742 . . . . 0.0 111.147 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.476 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 54.0 Cg_endo -69.74 154.17 68.14 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.658 2.239 . . . . 0.0 112.345 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -69.61 -36.26 76.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 68.1 m-80 -97.39 46.05 1.03 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -74.98 143.77 78.29 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.587 0.708 . . . . 0.0 111.083 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 130.72 19.8 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.657 2.238 . . . . 0.0 112.31 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.0 t -53.36 111.2 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 122.81 12.59 4.9 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.4 m -85.62 136.14 33.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.824 0.345 . . . . 0.0 111.125 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 64.8 p -75.9 107.07 7.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 61.6 t -74.97 -62.34 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.141 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.418 HD13 ' C ' ' A' ' 34' ' ' ILE . 0.0 OUTLIER -145.1 146.21 20.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.9 tp60 -129.01 118.79 23.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 16.9 mt -97.24 117.76 32.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -92.58 105.31 17.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -125.23 89.41 3.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.131 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 36.5 p -118.71 113.15 20.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.425 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.8 OUTLIER -113.84 81.96 1.61 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.814 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 67.3 50.63 0.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.059 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -81.35 47.35 1.03 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.2 pt -85.62 106.28 15.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.07 -68.28 3.12 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.465 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.5 m -57.84 149.9 21.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.891 0.377 . . . . 0.0 110.828 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 24.1 m120 -70.63 -75.07 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.918 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 49' ' ' ILE . . . 61.45 26.25 16.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.101 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.25 86.3 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.466 ' N ' ' O ' ' A' ' 47' ' ' ALA . 29.0 mt -50.6 126.56 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.164 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -83.8 115.51 22.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -89.39 111.21 22.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 28.2 pt -106.84 156.42 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.113 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -69.32 142.48 54.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -58.2 -164.4 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.487 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.54 158.1 16.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.754 0.311 . . . . 0.0 111.101 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 52.14 53.17 12.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.945 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.8 t -114.54 129.17 71.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.51 150.74 33.01 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.541 0.686 . . . . 0.0 111.114 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -43.49 2.6 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.702 2.268 . . . . 0.0 112.344 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -48.34 -44.24 34.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.063 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 49.3 m -58.23 -40.07 80.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.167 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.39 -40.08 81.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.1 mtp85 -69.36 -63.87 0.98 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.85 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.5 mt -51.94 -49.08 63.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.464 ' CZ ' ' CD2' ' A' ' 80' ' ' LEU . 84.6 m-85 -104.07 123.29 46.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -98.8 127.9 44.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.114 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 24.7 tp -110.36 123.79 50.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -87.93 144.29 26.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -101.54 -6.87 23.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 74.0 p -105.12 -25.16 12.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.194 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 73.8 p -116.23 -22.39 8.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 63.1 37.26 94.63 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.499 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 30.3 tp -119.9 130.31 54.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.792 0.329 . . . . 0.0 110.919 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 87.4 mt -96.41 123.52 48.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 65.5 p -126.23 165.72 18.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.143 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 51.6 t -81.58 110.46 16.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -81.81 -34.13 30.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 64.4 mtp180 -143.72 160.85 39.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.9 t -51.29 141.98 13.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.464 ' CD2' ' CZ ' ' A' ' 65' ' ' PHE . 10.8 mt -94.65 152.88 18.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.939 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -129.22 124.56 34.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.422 ' CG ' HG11 ' A' ' 110' ' ' VAL . 27.8 mtm180 -81.81 -39.97 23.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -41.92 -44.26 3.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -76.44 -62.59 1.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.53 HG23 ' CE1' ' A' ' 88' ' ' HIS . 5.3 t -139.97 138.1 35.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.425 ' O ' ' CG2' ' A' ' 110' ' ' VAL . . . -95.71 -41.79 8.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.11 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 6.9 mm -105.62 141.02 21.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.53 ' CE1' HG23 ' A' ' 85' ' ' THR . 52.8 m-70 -125.11 115.31 20.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.47 ' N ' ' HD3' ' A' ' 89' ' ' LYS . 0.0 OUTLIER -100.15 109.93 22.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.897 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 87.3 t -115.76 123.66 71.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 17.2 m -100.63 128.78 46.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 60.6 t -108.4 138.19 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.129 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 18.0 mt -119.61 116.41 25.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -103.17 126.21 50.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.8 t -132.7 134.27 44.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -128.96 58.5 1.59 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 67.16 50.94 41.98 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.491 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.3 m -150.66 -175.35 5.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.839 0.352 . . . . 0.0 110.844 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 100' ' ' THR . 5.9 t -61.23 -174.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 99' ' ' SER . 19.5 m -34.03 128.85 0.44 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.608 0.718 . . . . 0.0 111.158 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 169.3 19.2 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.686 2.258 . . . . 0.0 112.413 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.39 175.05 4.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.127 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 79.3 mtm-85 -137.66 135.58 36.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -147.52 119.43 8.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 78.2 m -91.75 117.55 29.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 73.5 t -101.04 114.35 39.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.5 m -90.17 119.73 30.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 23.5 mt -107.91 110.04 30.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -95.15 117.62 30.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.425 ' CG2' ' O ' ' A' ' 86' ' ' ALA . 20.3 t -85.33 127.78 39.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 3.6 p -124.96 174.51 7.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.114 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -51.66 153.0 2.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 5.9 p -101.13 -27.22 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.943 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 m -163.6 175.88 10.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.908 0.385 . . . . 0.0 110.835 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.4 p -117.72 -60.29 1.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.17 76.33 0.18 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.423 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m 45.81 42.55 8.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.876 0.369 . . . . 0.0 110.876 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.2 m -86.49 155.45 20.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.836 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.77 -121.76 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.483 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 64.1 m-80 -108.09 178.15 4.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.879 0.371 . . . . 0.0 110.864 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -54.82 146.76 16.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -144.25 120.83 11.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.96 152.42 47.57 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.574 0.702 . . . . 0.0 110.865 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 154.16 68.01 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.699 2.266 . . . . 0.0 112.287 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.4 p -129.15 133.14 66.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.45 ' CD1' HD22 ' A' ' 36' ' ' LEU . 8.7 m-85 -78.77 153.11 31.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.2 tttp -41.28 -50.72 3.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.964 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.447 ' CG ' HG23 ' A' ' 19' ' ' VAL . 6.3 pt-20 -146.9 160.46 42.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.01 -61.29 5.0 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.511 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -105.86 143.36 34.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.87 0.367 . . . . 0.0 110.87 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.447 HG23 ' CG ' ' A' ' 16' ' ' GLU . 84.1 t -132.97 135.39 57.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -122.97 133.78 54.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.2 m -134.72 150.09 30.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.554 ' CD2' ' O ' ' A' ' 22' ' ' HIS . 2.4 p-80 -114.71 124.68 52.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.0 tt -148.53 132.22 8.43 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.666 0.746 . . . . 0.0 111.084 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.453 ' HB2' ' CG1' ' A' ' 113' ' ' VAL . 54.0 Cg_endo -69.69 154.84 67.53 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -69.32 -38.31 78.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.408 ' ND2' HG23 ' A' ' 113' ' ' VAL . 16.5 m-20 -85.42 29.81 0.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.6 143.72 95.46 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.554 0.692 . . . . 0.0 111.121 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 142.87 49.12 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.683 2.256 . . . . 0.0 112.316 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.5 t -63.55 131.26 29.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.075 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.45 15.8 31.26 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.446 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.1 m -82.86 126.91 32.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.814 0.34 . . . . 0.0 111.15 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.6 p -70.43 109.18 4.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.8 t -79.99 -72.6 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.137 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 10.5 tp -142.62 146.78 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.148 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -123.48 103.74 8.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.45 HD22 ' CD1' ' A' ' 14' ' ' PHE . 13.6 mt -72.17 145.28 48.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -139.21 116.01 10.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.826 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -118.98 126.97 52.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.0 p -126.73 114.47 18.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.187 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -128.71 136.77 51.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 41.48 54.95 3.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.074 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -78.63 47.9 0.76 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 3.6 pt -101.55 91.22 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 118.33 -103.78 1.06 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.489 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 t -96.64 151.48 19.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.887 0.375 . . . . 0.0 110.869 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -80.75 112.28 17.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.47 147.11 52.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.03 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -93.68 87.89 5.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 67.3 mt -80.0 117.13 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.153 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.484 ' CD ' ' O ' ' A' ' 69' ' ' ASN . 0.0 OUTLIER -78.27 162.55 26.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -136.8 110.5 8.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 22.8 pt -112.7 169.75 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.095 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.527 ' CZ ' ' HG2' ' A' ' 62' ' ' LYS . 31.4 m-85 -74.26 135.1 42.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -64.25 -152.05 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.499 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -105.58 158.89 16.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.697 0.284 . . . . 0.0 111.137 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 56.59 47.87 17.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 96.2 t -107.89 121.72 61.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.078 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.82 152.07 50.49 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.562 0.696 . . . . 0.0 111.124 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -40.9 4.74 Favored 'Trans proline' 0 N--CA 1.466 -0.14 0 C-N-CA 122.72 2.28 . . . . 0.0 112.321 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.26 -57.47 12.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.081 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 85.5 m -48.11 -35.08 10.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.082 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.527 ' HG2' ' CZ ' ' A' ' 53' ' ' PHE . 35.3 mtmt -73.21 -27.21 61.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.908 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.427 ' O ' ' NE2' ' A' ' 77' ' ' GLN . 26.4 mtt180 -84.79 -54.42 4.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 16.7 mt -57.44 -46.32 83.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -107.7 126.42 52.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -96.83 136.26 37.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.3 tp -113.35 141.62 46.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -103.08 123.25 46.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.484 ' O ' ' CD ' ' A' ' 50' ' ' ARG . 0.7 OUTLIER -84.95 5.11 30.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 73.1 p -116.84 -26.24 7.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 46.4 p -120.92 -15.92 8.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.107 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 62.19 38.29 95.92 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 33.6 tp -111.96 149.06 32.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.805 0.336 . . . . 0.0 110.908 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 66.9 mt -121.47 122.12 66.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 34.8 p -128.85 162.03 28.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 91.1 t -71.35 131.09 34.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.146 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.427 ' NE2' ' O ' ' A' ' 63' ' ' ARG . 5.9 tt0 -107.34 -35.76 6.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 79' ' ' SER . 47.4 mtp180 -147.63 152.24 37.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 78' ' ' ARG . 20.2 p -37.82 148.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.4 mt -105.84 152.88 22.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.935 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -121.14 118.27 29.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.9 tmm_? -79.75 -46.74 16.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.832 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -41.27 -49.39 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -65.5 -59.87 3.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 8.9 t -133.46 144.59 49.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.139 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -104.95 -24.2 12.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.048 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 69.6 mt -134.53 134.22 54.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.139 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 23.0 m-70 -113.36 113.96 25.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? -102.83 107.79 18.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 15.2 t -114.17 142.28 27.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.138 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 52.1 m -121.27 121.26 37.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 42.2 t -108.12 140.24 27.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.152 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 55.4 mt -105.29 140.06 38.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -118.77 136.36 54.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 32.2 t -139.27 142.34 37.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.823 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -134.73 -35.64 0.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.838 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 164.92 34.62 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.503 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 t -115.72 -177.88 3.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.874 0.369 . . . . 0.0 110.847 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.0 m -70.84 -71.62 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 92.5 m -100.16 134.01 21.12 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.582 0.706 . . . . 0.0 111.112 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 165.14 31.95 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.689 2.259 . . . . 0.0 112.347 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -96.33 128.93 43.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.111 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 3.6 ptp85 -107.69 150.2 27.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -146.27 119.75 9.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.094 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 28.3 m -83.46 117.29 22.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.097 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 90.9 t -106.08 142.98 17.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.128 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 61.2 m -117.87 130.0 55.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.194 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 28.6 mt -117.44 117.27 54.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.161 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -90.91 133.95 34.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 79.3 t -102.25 99.98 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.177 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 68.1 p -85.24 160.85 19.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -76.87 170.24 16.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.453 ' CG1' ' HB2' ' A' ' 24' ' ' PRO . 32.8 m -139.46 121.81 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 9.2 p30 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.937 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -166.66 155.96 11.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.896 0.379 . . . . 0.0 110.841 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t -173.94 127.05 0.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.893 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.18 147.04 18.76 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.494 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.6 p -164.2 165.17 22.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.892 0.377 . . . . 0.0 110.821 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.7 t -117.29 162.53 17.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.06 148.57 19.33 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.497 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -152.2 159.85 43.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 0.0 110.844 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -53.1 119.55 4.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.842 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -158.83 142.07 14.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -88.17 156.33 51.67 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.574 0.702 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 95.49 0.56 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.667 2.245 . . . . 0.0 112.315 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.4 m -103.13 168.26 2.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.136 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.416 ' CE1' ' HB2' ' A' ' 104' ' ' ALA . 96.1 m-85 -97.99 151.2 20.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -61.16 -38.95 88.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.452 ' HG3' ' CG2' ' A' ' 19' ' ' VAL . 6.2 pt-20 -127.16 -27.67 2.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.86 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 78.6 -63.44 3.72 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.475 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -103.42 138.71 39.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.861 0.362 . . . . 0.0 110.886 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.452 ' CG2' ' HG3' ' A' ' 16' ' ' GLU . 17.9 t -151.64 135.32 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -109.95 115.04 29.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.0 m -112.22 163.44 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.13 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 24.9 p-80 -134.4 108.29 8.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.826 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.472 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 2.3 tt -126.23 137.13 29.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.593 0.711 . . . . 0.0 111.117 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.472 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.7 Cg_endo -69.8 170.48 16.53 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.672 2.248 . . . . 0.0 112.377 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -84.74 -28.6 26.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -79.66 -10.35 59.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -37.13 139.12 0.52 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.572 0.701 . . . . 0.0 111.078 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 141.66 45.67 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.684 2.256 . . . . 0.0 112.306 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 25.1 t -64.53 121.11 12.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.185 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.97 11.03 14.66 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.478 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.6 m -82.21 142.38 32.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.774 0.321 . . . . 0.0 111.174 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 52.4 p -81.81 115.41 21.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.828 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 18.2 t -85.53 -62.11 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.171 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 19.0 tt -142.75 154.13 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.162 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -132.14 106.21 7.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 14.7 mt -93.55 134.44 35.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -113.58 134.96 54.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -126.3 95.2 4.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.2 p -98.92 117.75 34.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.151 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -128.23 156.82 42.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.53 111.64 0.49 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.161 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.8 p30 -94.95 12.59 27.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 3.1 tt -54.37 107.54 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 134.35 -67.78 0.55 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.515 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 38.6 t -161.58 159.78 28.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.876 0.369 . . . . 0.0 110.886 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -39.81 158.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -146.66 111.18 5.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.103 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -96.01 95.92 8.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 26.3 mt -68.66 106.09 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.119 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.467 ' HD2' ' N ' ' A' ' 50' ' ' ARG . 0.3 OUTLIER -90.25 118.82 30.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.88 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.495 ' CE1' ' C ' ' A' ' 71' ' ' THR . 23.4 m-85 -88.21 153.29 21.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.414 ' N ' HD12 ' A' ' 52' ' ' ILE . 0.1 OUTLIER -145.21 175.0 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -83.35 146.31 28.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -54.79 -168.34 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.475 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -94.59 136.61 34.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.748 0.309 . . . . 0.0 111.073 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 56.73 51.16 11.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 92.0 t -96.93 128.37 48.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.471 ' O ' ' CD ' ' A' ' 62' ' ' LYS . . . -51.35 145.52 13.93 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.526 0.679 . . . . 0.0 111.086 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -49.06 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.675 2.25 . . . . 0.0 112.355 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 63' ' ' ARG . . . -51.56 -66.83 0.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 70.5 m -39.31 -31.87 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.144 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.471 ' CD ' ' O ' ' A' ' 58' ' ' ALA . 12.9 mtpt -80.64 -38.32 29.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 60' ' ' ALA . 22.5 mmm180 -58.17 -43.7 87.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.839 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 21.3 mt -69.48 -51.14 38.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.421 ' CZ ' HD21 ' A' ' 80' ' ' LEU . 97.7 m-85 -103.33 120.92 41.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.16 145.53 24.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.106 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 28.3 tp -121.02 119.36 32.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.947 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -73.3 130.84 41.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -94.05 13.07 24.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.6 p -118.79 -28.99 5.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.151 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.495 ' C ' ' CE1' ' A' ' 51' ' ' TYR . 44.9 p -127.88 -29.33 2.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 90.38 14.36 58.77 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.511 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.6 tp -81.96 145.41 30.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.772 0.32 . . . . 0.0 110.891 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 65.7 mt -113.46 133.27 59.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 16.7 p -132.41 170.93 14.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.15 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 97.9 t -86.17 101.79 10.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -72.06 -44.04 63.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 36.6 mtp85 -149.16 152.5 36.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.4 t -39.05 149.54 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.421 HD21 ' CZ ' ' A' ' 65' ' ' PHE . 10.7 mt -98.96 156.23 17.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -114.68 115.09 26.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -88.31 -35.8 17.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -52.16 -46.05 65.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.62 -70.52 0.49 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.526 HG21 ' CE1' ' A' ' 88' ' ' HIS . 4.9 t -112.08 139.97 47.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.148 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -102.37 -37.96 7.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 36.6 mt -116.36 139.19 44.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.09 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.526 ' CE1' HG21 ' A' ' 85' ' ' THR . 51.4 m-70 -119.55 111.04 17.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.816 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 27.2 mttp -103.66 111.35 23.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 65.7 t -123.62 132.98 70.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 16.7 m -99.75 142.63 30.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 69.9 t -117.34 151.31 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 77.7 mt -131.3 120.71 23.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -99.12 110.32 22.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.4 t -134.38 140.64 46.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -127.31 -31.8 2.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.846 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 163.34 35.57 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.503 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 51.0 p -131.49 -177.98 4.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.861 0.362 . . . . 0.0 110.865 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 100' ' ' THR . 9.3 t -53.25 -176.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.828 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.427 ' C ' ' O ' ' A' ' 99' ' ' SER . 17.3 m -34.75 127.89 0.5 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.576 0.703 . . . . 0.0 111.158 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -175.01 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.667 2.244 . . . . 0.0 112.337 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -95.21 153.16 17.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.092 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -102.82 139.82 37.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.416 ' HB2' ' CE1' ' A' ' 14' ' ' PHE . . . -137.22 118.4 14.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.084 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 89.7 m -93.99 108.27 20.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 84.5 t -103.88 110.07 29.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.111 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 8.1 m -91.22 134.22 34.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 18.0 mt -129.07 102.46 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -85.39 151.93 23.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 34.6 t -111.34 130.23 65.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.118 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 11.3 p -114.57 172.39 7.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -90.22 153.56 20.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 2.9 m -108.68 -16.94 8.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 57.9 t-20 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 t -131.75 -48.38 0.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.85 0.357 . . . . 0.0 110.87 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.7 t -66.54 97.03 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.43 143.57 16.79 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.494 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.6 m -139.36 165.35 27.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.86 0.362 . . . . 0.0 110.843 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.1 m -105.82 112.98 26.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.816 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.36 132.2 11.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.542 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -80.61 -60.4 2.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 110.912 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -129.95 134.33 47.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -125.77 105.32 8.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.3 ptt85 -147.82 142.21 16.4 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.596 0.713 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 178.1 4.94 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.676 2.25 . . . . 0.0 112.326 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.7 p -160.33 143.47 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.539 ' CD1' ' HB2' ' A' ' 38' ' ' ALA . 6.3 m-85 -91.13 165.79 13.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -63.19 -54.2 41.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -145.5 113.73 6.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -39.37 -53.5 2.78 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.485 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.7 mp0 -119.1 129.81 55.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.875 0.369 . . . . 0.0 110.895 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 47.2 t -136.82 125.54 35.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.44 ' OE2' ' ND2' ' A' ' 109' ' ' ASN . 30.9 tt0 -94.71 152.64 18.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.7 m -151.57 165.81 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.486 ' O ' ' CG ' ' A' ' 22' ' ' HIS . 6.3 p-80 -126.53 122.13 34.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.475 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 6.7 tt -145.72 136.2 12.14 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.575 0.702 . . . . 0.0 111.173 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . 0.475 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.7 Cg_endo -69.75 161.45 45.87 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.743 2.295 . . . . 0.0 112.301 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -71.51 -36.39 71.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -90.54 21.0 4.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.5 142.33 22.05 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.627 0.727 . . . . 0.0 111.088 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 129.34 17.47 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.692 2.262 . . . . 0.0 112.329 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.456 HG11 ' N ' ' A' ' 30' ' ' GLY . 89.0 t -56.84 137.14 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.172 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.456 ' N ' HG11 ' A' ' 29' ' ' VAL . . . 102.44 -2.49 50.03 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.526 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 85.6 m -73.83 134.68 43.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.806 0.336 . . . . 0.0 111.122 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 81.1 p -76.68 111.91 12.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 41.5 t -84.96 -65.32 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.459 ' CG2' HD13 ' A' ' 74' ' ' ILE . 2.9 tp -138.91 137.35 42.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.099 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -118.32 111.16 18.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.513 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . 4.6 mt -97.95 127.4 43.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -121.57 109.29 14.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.539 ' HB2' ' CD1' ' A' ' 14' ' ' PHE . . . -131.46 110.1 10.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.063 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 38.0 p -122.86 152.16 41.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -114.03 142.46 46.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.835 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -44.91 103.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.08 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.29 74.71 0.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.862 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.8 pt -92.7 106.99 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 97.06 -65.0 0.96 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.439 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 84.6 p -125.48 160.35 29.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.865 0.364 . . . . 0.0 110.831 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.99 155.84 40.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -116.64 114.9 24.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -92.54 85.34 5.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 28.1 mm -66.39 123.51 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 37.1 mmm-85 -112.64 117.31 31.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.446 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 48.0 m-85 -86.0 135.53 33.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 2.6 pp -137.33 162.9 32.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.474 ' CD2' ' HE2' ' A' ' 62' ' ' LYS . 28.6 m-85 -74.28 119.4 18.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -55.78 -175.31 0.18 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.455 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -83.41 153.27 24.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.762 0.315 . . . . 0.0 111.081 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 61.85 53.89 3.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.6 t -121.71 119.64 59.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.107 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.83 150.27 91.51 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.571 0.701 . . . . 0.0 111.066 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -50.72 0.44 Allowed 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.676 2.251 . . . . 0.0 112.363 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -41.07 -51.26 3.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 89.1 m -54.08 -36.68 63.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.474 ' HE2' ' CD2' ' A' ' 53' ' ' PHE . 1.9 mtpm? -72.6 -43.27 63.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.7 tpt85 -53.83 -41.18 67.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.472 ' CD2' ' HB2' ' A' ' 78' ' ' ARG . 14.9 mt -83.14 -49.47 9.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.564 ' CZ ' HD21 ' A' ' 80' ' ' LEU . 77.4 m-85 -94.37 124.01 38.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -102.77 122.39 44.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.083 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 21.4 tp -96.55 138.92 33.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -102.1 134.22 45.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 51' ' ' TYR . 0.8 OUTLIER -95.79 5.4 51.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 66.5 p -118.35 -28.54 5.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 43.8 p -121.98 -19.11 6.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.159 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 59.53 36.73 90.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.491 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.1 tp -112.93 121.85 45.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.789 0.328 . . . . 0.0 110.95 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.459 HD13 ' CG2' ' A' ' 34' ' ' ILE . 97.4 mt -85.66 123.13 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 32.6 p -126.78 152.44 46.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 59.9 t -65.19 124.0 19.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.144 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -108.46 -26.04 10.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . 0.472 ' HB2' ' CD2' ' A' ' 64' ' ' LEU . 10.7 mmm180 -143.96 161.28 39.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.6 m -64.66 120.33 12.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.564 HD21 ' CZ ' ' A' ' 65' ' ' PHE . 6.2 mt -74.62 143.8 44.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -120.43 126.62 50.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.864 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 39.7 ttp85 -82.9 -43.8 16.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -41.08 -38.16 0.98 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -85.79 -64.92 1.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.514 HG22 ' CE1' ' A' ' 88' ' ' HIS . 4.8 t -126.83 122.43 34.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.169 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.99 -20.23 26.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 47.4 mt -134.62 137.27 51.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.112 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' HIS . . . . . 0.514 ' CE1' HG22 ' A' ' 85' ' ' THR . 32.9 m-70 -116.01 117.09 29.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -106.45 108.19 19.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 93.0 t -119.01 144.56 26.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 32.6 m -122.68 113.62 19.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.098 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 98.3 t -98.13 140.4 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.101 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.407 HD22 ' NH1' ' A' ' 103' ' ' ARG . 76.2 mt -113.99 136.2 53.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -125.95 120.2 29.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.066 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 47.6 t -131.39 118.61 20.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.869 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.28 -54.01 16.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.833 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 176.45 112.5 0.31 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.512 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 26.4 m 52.05 43.62 30.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.887 0.375 . . . . 0.0 110.852 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.2 m -142.75 149.57 38.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.868 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 44.4 m -48.88 122.46 11.2 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.546 0.689 . . . . 0.0 111.158 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 149.22 66.62 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.645 2.23 . . . . 0.0 112.33 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -98.21 119.23 36.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.464 ' HB3' ' CZ ' ' A' ' 103' ' ' ARG . 4.7 ptp180 -100.08 137.08 39.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -139.64 118.55 12.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.09 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 53.2 m -90.63 110.95 22.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 94.4 t -96.17 107.11 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.097 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.8 m -80.73 102.6 10.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.128 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 18.0 mt -99.57 112.99 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.114 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ASN . . . . . 0.44 ' ND2' ' OE2' ' A' ' 20' ' ' GLU . 66.4 m-20 -85.72 152.77 22.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 47.0 t -121.69 117.86 53.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.136 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 67.1 p -106.79 175.54 5.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -93.07 163.81 13.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.41 ' CG1' ' HB2' ' A' ' 24' ' ' PRO . 6.8 m -115.86 -16.61 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.172 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.415 ' OD1' ' C ' ' A' ' 114' ' ' ASN . 3.2 p-10 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.86 0.275 . . . . 0.0 112.331 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.2 p -138.35 134.53 43.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -76.56 152.61 35.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.0 tttp -57.34 -51.55 68.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -145.79 130.09 17.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -45.53 -63.69 2.65 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.478 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.03 142.74 51.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.814 0.34 . . . . 0.0 110.944 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.8 t -142.25 141.43 28.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -102.83 134.08 46.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.562 HG23 HG23 ' A' ' 108' ' ' ILE . 35.5 m -127.0 155.06 37.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.156 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.431 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 39.4 p-80 -125.98 105.8 9.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.458 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 0.8 OUTLIER -129.72 138.3 32.82 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.626 0.727 . . . . 0.0 111.127 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.458 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.6 Cg_endo -69.74 140.72 43.44 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.729 2.286 . . . . 0.0 112.34 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.426 ' C ' ' OE1' ' A' ' 25' ' ' GLU . 1.6 pp20? -57.74 -37.52 73.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.521 ' HB2' HG21 ' A' ' 113' ' ' VAL . 46.3 t30 -77.79 -3.11 39.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 26' ' ' ASN . . . -34.41 143.29 0.21 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.603 0.716 . . . . 0.0 111.098 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 143.09 49.41 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.689 2.259 . . . . 0.0 112.301 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.7 t -66.94 128.41 30.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 109.37 6.0 29.64 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.521 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.7 m -79.48 141.12 37.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.789 0.328 . . . . 0.0 111.162 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.806 ' HA ' HG22 ' A' ' 75' ' ' THR . 77.6 p -90.15 105.48 17.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.9 t -69.83 -68.23 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.575 HG21 HG11 ' A' ' 106' ' ' VAL . 11.8 tt -142.35 145.14 23.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.7 tp60 -122.73 124.36 43.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.934 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.0 mt -100.06 115.28 29.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -104.02 104.99 15.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -134.62 90.27 2.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.108 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.5 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.121 -179.888 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.435 ' C ' ' HD2' ' A' ' 50' ' ' ARG . 93.2 mt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.809 0.338 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.455 ' N ' ' HD2' ' A' ' 50' ' ' ARG . 0.3 OUTLIER -106.26 135.0 48.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.861 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.524 ' CE2' ' C ' ' A' ' 71' ' ' THR . 49.0 m-85 -107.04 108.85 20.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 15.7 pt -104.67 174.44 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.104 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -82.36 136.16 35.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -60.14 -160.56 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.508 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.63 150.12 21.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.751 0.31 . . . . 0.0 111.097 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 60.17 46.94 9.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.936 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 79.7 t -107.77 118.37 55.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.09 148.72 60.04 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.634 0.73 . . . . 0.0 111.068 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -40.28 5.49 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.685 2.257 . . . . 0.0 112.375 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.91 -43.31 59.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.113 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.45 HG21 HG22 ' A' ' 90' ' ' VAL . 56.9 m -61.44 -35.7 78.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.167 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -65.18 -36.46 84.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -80.02 -48.93 12.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 67.4 mt -56.83 -41.05 77.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -117.91 131.55 56.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.16 114.61 26.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.096 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.5 tp -103.29 115.16 30.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -71.35 119.29 15.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.441 ' N ' ' OD1' ' A' ' 69' ' ' ASN . 0.7 OUTLIER -84.58 18.33 2.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.929 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.52 -26.07 3.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.116 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.524 ' C ' ' CE2' ' A' ' 51' ' ' TYR . 18.3 p -125.58 -23.91 3.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.133 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.518 ' N ' ' CD2' ' A' ' 51' ' ' TYR . . . 79.52 25.01 59.63 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.496 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.426 HD12 ' N ' ' A' ' 74' ' ' ILE . 6.4 tp -93.13 135.54 34.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.809 0.337 . . . . 0.0 110.92 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.426 ' N ' HD12 ' A' ' 73' ' ' LEU . 85.2 mt -106.95 122.95 61.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.806 HG22 ' HA ' ' A' ' 32' ' ' SER . 65.1 p -136.54 150.16 48.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 78.4 t -56.14 123.34 6.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.161 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -101.24 -36.59 8.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 31.8 mtp85 -151.72 161.63 42.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.4 m -52.92 141.05 22.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.6 mt -103.56 168.67 9.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -132.6 123.42 26.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -77.86 -47.01 19.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -44.36 -46.47 9.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -69.89 -68.79 0.39 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.54 HG21 ' CE1' ' A' ' 88' ' ' HIS . 10.1 t -120.58 139.93 52.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.153 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -103.25 -42.05 5.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.105 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 75.3 mt -115.21 134.84 57.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.118 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.54 ' CE1' HG21 ' A' ' 85' ' ' THR . 28.8 m-70 -113.25 118.78 35.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 48.7 mttt -109.26 104.32 13.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.45 HG22 HG21 ' A' ' 61' ' ' THR . 91.2 t -117.73 135.62 57.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.19 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 14.1 m -112.2 138.88 48.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.181 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.445 HG13 ' HB3' ' A' ' 51' ' ' TYR . 96.4 t -114.41 140.17 36.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.171 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 62.0 mt -124.34 121.48 35.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -106.22 116.45 31.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 9.4 p . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.778 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.465 -0.166 0 CA-C-O 120.816 0.257 . . . . 0.0 112.361 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -93.29 142.45 27.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.105 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 27.7 ptt85 -102.13 142.41 33.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.821 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -142.19 127.91 19.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.081 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 19.2 m -93.8 145.48 24.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.575 HG11 HG21 ' A' ' 34' ' ' ILE . 87.0 t -141.48 114.48 4.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.1 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 6.6 m -100.46 125.01 46.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.176 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.562 HG23 HG23 ' A' ' 21' ' ' VAL . 12.0 mt -115.35 110.47 32.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -87.76 126.14 34.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 88.3 t -86.93 121.65 37.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.127 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 59.4 p -102.65 144.91 30.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.16 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -54.65 170.27 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.521 HG21 ' HB2' ' A' ' 26' ' ' ASN . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.125 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.143 0 CA-C-O 120.841 0.267 . . . . 0.0 112.351 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.9 m -109.2 135.31 48.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.126 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.751 ' CD2' ' HB2' ' A' ' 104' ' ' ALA . 12.5 m-85 -87.5 129.68 34.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.448 ' HD3' ' CG ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -42.89 -33.69 0.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.448 ' CG ' ' HD3' ' A' ' 15' ' ' LYS . 9.6 mm-40 -149.25 138.88 21.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -78.9 -60.64 2.54 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.461 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -117.97 118.92 33.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.855 0.36 . . . . 0.0 110.926 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 18.9 t -132.16 118.94 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.091 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -94.48 122.35 36.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.4 HG21 ' CG1' ' A' ' 33' ' ' VAL . 27.4 m -116.27 149.1 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.109 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.49 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 17.4 p-80 -114.0 117.89 32.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.465 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 2.3 tt -138.49 137.1 19.71 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.648 0.737 . . . . 0.0 111.078 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.465 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.8 Cg_endo -69.74 159.92 51.63 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.348 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -76.97 -22.61 52.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.637 ' HB3' HG11 ' A' ' 113' ' ' VAL . 56.0 t30 -96.79 16.92 17.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.874 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.96 143.97 50.1 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.555 0.693 . . . . 0.0 111.073 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 143.66 51.66 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.682 2.254 . . . . 0.0 112.341 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 64.0 t -67.19 130.77 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.79 14.37 29.58 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.49 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 32.1 m -83.86 143.22 30.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.756 0.313 . . . . 0.0 111.165 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 58.0 p -89.02 106.56 18.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.4 ' CG1' HG21 ' A' ' 21' ' ' VAL . 44.2 t -75.87 -68.66 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.15 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.0 tt -137.36 152.44 27.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.763 ' OE1' HD13 ' A' ' 73' ' ' LEU . 40.6 tp60 -116.73 127.91 54.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.5 mt -111.4 109.69 19.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.952 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -106.78 116.59 32.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -119.01 127.21 53.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.1 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.6 p . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.152 -179.868 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.488 ' CG2' ' HB1' ' A' ' 94' ' ' ALA . 28.0 mt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.837 0.351 . . . . 0.0 111.101 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 12.7 mmt85 -98.03 137.42 36.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.585 ' CD2' ' CA ' ' A' ' 72' ' ' GLY . 10.2 m-85 -107.21 115.8 30.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 12.7 pt -124.66 158.92 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.178 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.501 ' CD2' ' HG2' ' A' ' 62' ' ' LYS . 76.3 m-85 -66.96 136.33 55.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.79 -165.36 0.38 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.459 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -91.62 151.14 20.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.732 0.301 . . . . 0.0 111.127 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 20.5 mp0 59.44 43.85 15.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 88.1 t -97.53 116.2 39.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -45.85 143.94 3.01 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.588 0.709 . . . . 0.0 111.084 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -45.09 1.71 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.702 2.268 . . . . 0.0 112.322 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.59 -33.79 56.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.103 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.431 HG21 HG22 ' A' ' 90' ' ' VAL . 93.2 m -70.4 -63.94 0.99 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.501 ' HG2' ' CD2' ' A' ' 53' ' ' PHE . 18.5 mtmt -37.63 -32.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.5 ttt85 -82.92 -66.03 0.94 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 34.6 mt -39.19 -39.84 0.66 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -113.58 142.75 45.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -110.92 118.28 35.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.083 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.7 tp -106.2 107.06 17.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -67.06 132.34 47.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -92.51 5.8 49.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.2 p -116.2 -26.05 7.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 21.3 p -117.38 -17.3 10.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.194 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.585 ' CA ' ' CD2' ' A' ' 51' ' ' TYR . . . 64.46 27.3 71.56 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.456 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.763 HD13 ' OE1' ' A' ' 35' ' ' GLN . 10.8 tp -104.99 133.27 50.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.725 0.298 . . . . 0.0 110.922 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 97.4 mt -98.11 128.79 49.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.134 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 61.5 p -135.31 170.97 15.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 42.4 t -90.68 122.66 42.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.102 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -95.14 -44.05 7.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 36.1 mtt-85 -133.88 163.41 29.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.1 t -53.25 154.21 3.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.1 mt -113.63 160.14 18.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -123.72 139.41 54.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.818 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -96.66 -26.51 15.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -75.21 -10.69 59.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -102.69 -64.01 1.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.638 HG21 ' CE1' ' A' ' 88' ' ' HIS . 10.2 t -129.87 109.87 11.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.158 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.433 ' HB3' HD12 ' A' ' 87' ' ' ILE . . . -73.35 -42.3 62.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.066 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.433 HD12 ' HB3' ' A' ' 86' ' ' ALA . 5.3 mp -113.66 138.54 43.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.093 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.638 ' CE1' HG21 ' A' ' 85' ' ' THR . 24.8 m-70 -113.46 112.96 24.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -101.77 111.97 24.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.431 HG22 HG21 ' A' ' 61' ' ' THR . 60.4 t -130.36 124.71 58.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.156 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 23.0 m -105.41 126.82 52.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.44 ' CG1' ' HB3' ' A' ' 51' ' ' TYR . 49.0 t -102.16 134.63 42.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 14.9 mt -108.78 137.03 47.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.488 ' HB1' ' CG2' ' A' ' 49' ' ' ILE . . . -112.69 101.03 9.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.067 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 42.7 t . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.786 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.465 -0.169 0 CA-C-O 120.785 0.244 . . . . 0.0 112.376 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -87.17 151.9 22.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 12.0 mmt85 -114.65 134.51 55.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.751 ' HB2' ' CD2' ' A' ' 14' ' ' PHE . . . -150.19 116.51 5.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 59.1 m -102.41 127.63 49.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.414 HG12 HG13 ' A' ' 108' ' ' ILE . 94.0 t -109.68 101.18 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 5.4 m -75.19 102.94 5.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.136 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.414 HG13 HG12 ' A' ' 106' ' ' VAL . 30.4 mt -101.21 111.97 32.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.153 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -90.93 136.99 32.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 46.0 t -102.5 116.65 46.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.082 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 1.5 p -100.85 170.42 8.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.154 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -81.77 163.1 22.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.637 HG11 ' HB3' ' A' ' 26' ' ' ASN . 25.5 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.133 0 CA-C-O 120.81 0.254 . . . . 0.0 112.317 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 71.4 t -102.53 124.1 56.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.498 ' CD1' HD22 ' A' ' 36' ' ' LEU . 10.8 m-85 -93.39 111.9 23.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 16' ' ' GLU . 18.1 tptm -64.54 134.11 53.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.447 ' O ' HG23 ' A' ' 19' ' ' VAL . 14.0 pt-20 34.79 53.78 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -44.79 -47.29 9.26 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.494 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -79.52 119.84 23.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.349 . . . . 0.0 110.886 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.497 HG12 ' N ' ' A' ' 20' ' ' GLU . 73.3 t -149.73 157.85 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.497 ' N ' HG12 ' A' ' 19' ' ' VAL . 20.8 tt0 -124.65 109.71 13.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.5 m -100.91 163.38 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.146 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 69.9 m80 -125.78 106.62 9.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.475 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 7.5 tt -128.74 136.12 28.66 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.68 0.752 . . . . 0.0 111.106 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.475 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.8 Cg_endo -69.73 145.4 57.2 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.663 2.242 . . . . 0.0 112.365 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -61.38 -29.53 69.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.578 ' HB3' HG11 ' A' ' 113' ' ' VAL . 41.9 t30 -92.53 14.25 17.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.34 142.73 10.58 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.64 0.734 . . . . 0.0 111.055 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 136.49 32.96 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.669 2.246 . . . . 0.0 112.307 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.426 HG13 ' O ' ' A' ' 76' ' ' VAL . 24.7 t -61.42 140.67 18.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.85 0.09 59.04 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.524 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 32.1 m -78.7 141.52 37.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.842 0.353 . . . . 0.0 111.115 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.584 ' HA ' HG22 ' A' ' 75' ' ' THR . 58.2 p -76.71 109.13 10.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.817 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.7 t -78.7 -69.35 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.142 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.718 HG12 HG21 ' A' ' 106' ' ' VAL . 3.7 tp -136.05 146.3 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.484 ' OE1' HD13 ' A' ' 73' ' ' LEU . 38.6 tp60 -128.05 126.91 42.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.498 HD22 ' CD1' ' A' ' 14' ' ' PHE . 18.6 mt -100.45 146.62 26.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 14.8 t-160 -113.52 111.17 21.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -123.02 110.38 15.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.114 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 42.7 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.112 -179.869 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 86.4 mt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.809 0.338 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -102.81 117.24 34.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.454 ' HB3' ' CG1' ' A' ' 92' ' ' VAL . 0.9 OUTLIER -80.09 159.24 26.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 -179.847 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 12.3 pt -153.04 173.89 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -75.86 126.76 31.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.809 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.811 ' HA2' HD12 ' A' ' 93' ' ' LEU . . . -66.54 -158.51 0.66 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.496 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -95.79 156.83 16.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.76 0.314 . . . . 0.0 111.125 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 61.85 38.32 14.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.1 t -102.04 127.83 55.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.171 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.92 152.28 95.02 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.637 0.732 . . . . 0.0 111.084 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -46.8 1.07 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.668 2.245 . . . . 0.0 112.355 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.57 -36.58 64.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.061 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.563 ' CG2' HG22 ' A' ' 90' ' ' VAL . 93.2 m -68.83 -25.15 64.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.162 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -75.87 -37.74 58.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 33.2 ttt180 -82.79 -55.3 4.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 46.1 mt -50.05 -36.14 27.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -116.38 137.42 52.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.644 ' HB2' ' HB2' ' A' ' 77' ' ' GLN . . . -100.81 116.98 33.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 tp -109.65 105.89 15.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 -65.97 118.67 10.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 28.9 m120 -83.3 5.77 22.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 88.4 m -106.78 -27.86 10.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.401 ' C ' ' CE1' ' A' ' 51' ' ' TYR . 43.4 p -126.73 -27.02 3.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.68 11.46 71.05 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.485 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.484 HD13 ' OE1' ' A' ' 35' ' ' GLN . 20.0 tp -87.01 116.61 25.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.764 0.316 . . . . 0.0 110.904 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.617 HD12 ' CG2' ' A' ' 34' ' ' ILE . 84.2 mt -88.9 122.36 40.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.158 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.584 HG22 ' HA ' ' A' ' 32' ' ' SER . 41.3 p -127.91 152.7 47.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.426 ' O ' HG13 ' A' ' 29' ' ' VAL . 70.9 t -57.96 109.56 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.145 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.644 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 40.7 tt0 -83.71 -39.65 19.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 58.0 mtt-85 -148.33 169.55 19.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.0 m -58.09 133.3 55.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.826 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.2 mt -95.17 164.83 12.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.51 126.68 31.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.729 ' HD2' HG12 ' A' ' 110' ' ' VAL . 8.5 ttt-85 -86.35 -23.48 26.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -56.79 -44.88 82.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -75.63 -61.46 1.91 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 6.0 t -138.67 132.12 30.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.136 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.629 ' O ' HG23 ' A' ' 110' ' ' VAL . . . -94.64 -34.04 12.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.092 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 81.3 mt -103.68 121.07 54.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.152 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 15.8 m80 -108.8 118.2 36.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -108.94 111.93 23.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.563 HG22 ' CG2' ' A' ' 61' ' ' THR . 97.1 t -119.46 120.8 64.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.139 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 57.1 m -101.14 133.51 45.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.454 ' CG1' ' HB3' ' A' ' 51' ' ' TYR . 93.6 t -116.27 130.95 70.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.128 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.811 HD12 ' HA2' ' A' ' 54' ' ' GLY . 11.5 mt -110.9 123.99 51.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -102.01 128.8 48.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.814 -179.759 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.136 0 CA-C-O 120.787 0.245 . . . . 0.0 112.369 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -100.7 118.26 36.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -91.0 133.17 35.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.413 ' HB2' ' CD2' ' A' ' 14' ' ' PHE . . . -136.0 124.5 23.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 35.5 m -99.28 142.48 30.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.184 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.718 HG21 HG12 ' A' ' 34' ' ' ILE . 84.1 t -134.28 115.42 20.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.9 m -86.73 128.54 35.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.168 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 53.0 mt -117.48 106.38 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -85.41 126.27 33.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.729 HG12 ' HD2' ' A' ' 82' ' ' ARG . 86.0 t -95.4 127.79 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.169 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 11.5 p -111.88 162.12 15.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.51 160.48 30.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.578 HG11 ' HB3' ' A' ' 26' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.083 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.144 0 CA-C-O 120.811 0.254 . . . . 0.0 112.372 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.9 p -132.65 144.2 37.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.099 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.46 ' CD2' ' HB2' ' A' ' 104' ' ' ALA . 30.0 m-85 -88.39 136.85 32.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.9 ttmt -43.45 -38.18 2.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.2 pm0 -142.25 -177.82 5.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -112.71 -68.34 0.52 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.53 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -115.23 145.93 41.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.82 0.343 . . . . 0.0 110.933 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 91.7 t -150.32 116.09 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -85.14 118.96 25.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 18.8 m -112.96 159.34 12.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.095 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.512 ' O ' ' CG ' ' A' ' 22' ' ' HIS . 28.2 p-80 -123.2 114.42 20.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.882 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.5 tt -133.6 132.79 21.94 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.616 0.722 . . . . 0.0 111.139 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 141.37 45.39 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.722 2.281 . . . . 0.0 112.377 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -55.64 -35.01 65.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.859 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.516 ' HB3' HG11 ' A' ' 113' ' ' VAL . 59.2 t30 -92.55 25.8 2.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.64 144.11 66.07 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.632 0.73 . . . . 0.0 111.09 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 130.94 20.21 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.655 2.236 . . . . 0.0 112.336 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.3 t -54.75 114.76 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.166 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 117.67 13.98 7.06 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.483 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.8 m -83.56 132.62 34.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.809 0.338 . . . . 0.0 111.089 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.523 ' HA ' HG22 ' A' ' 75' ' ' THR . 47.0 m -74.51 115.09 13.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.1 t -84.47 -68.18 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.2 tp -140.6 143.23 29.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.109 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.0 tm0? -116.15 123.92 49.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 46.2 mt -106.7 131.34 53.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -126.92 105.33 8.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -128.84 91.23 3.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.106 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.9 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.169 -179.934 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 9.7 mm . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.812 0.339 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -130.94 139.65 50.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.448 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 21.9 m-85 -113.44 118.44 34.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.532 HD11 HD12 ' A' ' 93' ' ' LEU . 2.8 pp -118.75 166.52 13.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.175 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.468 ' O ' HD12 ' A' ' 52' ' ' ILE . 33.9 m-85 -70.36 139.27 51.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -51.5 -175.03 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.501 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.73 156.82 18.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.702 0.287 . . . . 0.0 111.149 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 43.62 47.11 6.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 54.6 t -97.98 109.97 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.087 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.427 ' HB1' ' HD2' ' A' ' 59' ' ' PRO . . . -42.8 155.51 0.26 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.554 0.692 . . . . 0.0 111.103 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.427 ' HD2' ' HB1' ' A' ' 58' ' ' ALA . 53.9 Cg_endo -69.72 -47.22 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.676 2.251 . . . . 0.0 112.362 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -49.83 -53.58 24.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.9 m -52.98 -16.27 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -103.55 -21.71 13.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -81.36 -32.71 32.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 50.3 mt -81.29 -32.6 33.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -119.23 142.29 48.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -114.75 117.23 30.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.086 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.464 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 11.0 tp -99.37 140.71 33.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -103.74 143.39 32.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 51' ' ' TYR . 0.4 OUTLIER -104.12 1.78 31.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.4 p -106.74 -27.66 10.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.4 p -119.12 -28.37 5.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 77.87 37.83 28.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.499 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.0 tp -115.82 138.57 51.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.858 0.361 . . . . 0.0 110.912 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 85.8 mt -105.62 113.87 43.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.142 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.523 HG22 ' HA ' ' A' ' 32' ' ' SER . 12.5 p -119.83 169.91 9.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.173 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 66.2 t -83.29 138.47 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -106.91 -38.89 5.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 45.9 mtp180 -146.68 153.26 40.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.4 m -40.32 150.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.3 mt -104.52 158.6 16.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -120.5 115.01 22.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -84.37 -35.62 23.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -55.36 -19.22 8.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -101.45 -62.73 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.549 HG21 ' CE1' ' A' ' 88' ' ' HIS . 5.2 t -128.3 147.29 50.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.191 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.541 ' O ' HG23 ' A' ' 110' ' ' VAL . . . -116.6 -32.78 5.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.125 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 22.5 mm -110.11 124.46 66.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.138 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.549 ' CE1' HG21 ' A' ' 85' ' ' THR . 56.3 m-70 -117.36 114.12 23.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.7 mttt -106.13 113.42 26.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 57.8 t -117.67 132.27 67.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 21.6 m -107.3 130.7 54.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.136 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 86.4 t -110.25 144.72 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.532 HD12 HD11 ' A' ' 52' ' ' ILE . 25.4 mt -125.01 126.07 44.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -109.74 119.21 38.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 42.0 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.781 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.794 0.248 . . . . 0.0 112.323 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -85.75 151.42 23.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 45.4 mtm-85 -105.2 134.74 47.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.92 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.46 ' HB2' ' CD2' ' A' ' 14' ' ' PHE . . . -140.31 118.19 11.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 91.8 m -99.28 136.56 39.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 92.0 t -128.93 115.26 35.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.143 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 7.8 m -87.02 124.55 33.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 16.3 mt -116.54 123.56 71.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.175 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -104.57 132.5 50.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 86' ' ' ALA . 39.5 t -98.14 115.24 37.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.092 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 68.7 p -98.18 164.3 12.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -69.16 176.49 3.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.516 HG11 ' HB3' ' A' ' 26' ' ' ASN . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.116 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.174 0 CA-C-O 120.826 0.261 . . . . 0.0 112.369 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.553 ' O ' HG23 ' A' ' 13' ' ' VAL . 32.3 m -82.5 118.32 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.091 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.455 ' CZ ' ' HB2' ' A' ' 94' ' ' ALA . 18.8 m-85 -63.22 111.53 2.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -38.12 -46.84 1.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -130.79 107.68 9.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.51 -93.83 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.446 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -87.1 122.57 31.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.889 0.376 . . . . 0.0 110.931 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 19.3 t -133.05 136.63 55.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.128 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -104.39 129.01 52.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.5 m -125.01 154.79 33.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -120.17 107.85 13.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.826 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.463 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 9.5 tt -124.1 135.75 26.74 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.608 0.718 . . . . 0.0 111.143 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.463 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.8 Cg_endo -69.78 145.15 56.17 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.7 2.267 . . . . 0.0 112.317 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -62.35 -31.99 72.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.576 ' HB2' HG21 ' A' ' 113' ' ' VAL . 26.5 m-20 -87.91 17.09 5.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.46 142.53 76.54 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.539 0.685 . . . . 0.0 111.142 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 128.17 15.67 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.677 2.252 . . . . 0.0 112.371 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 77' ' ' GLN . 12.0 p -56.24 130.44 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.141 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.66 15.18 23.4 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.459 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 87.8 m -88.92 131.14 35.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.791 0.329 . . . . 0.0 111.101 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.759 ' HA ' HG22 ' A' ' 75' ' ' THR . 85.1 p -69.32 116.01 9.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 85.2 t -87.29 -67.52 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.146 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.431 HG13 ' N ' ' A' ' 35' ' ' GLN . 7.6 tp -139.61 147.35 24.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.617 ' HB2' HD13 ' A' ' 73' ' ' LEU . 2.5 tp-100 -121.89 137.03 54.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.454 ' CD1' HG11 ' A' ' 92' ' ' VAL . 21.5 mt -102.52 133.58 47.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -125.84 105.96 9.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.593 ' O ' HD12 ' A' ' 49' ' ' ILE . . . -122.49 101.67 7.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.3 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.135 -179.883 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.593 HD12 ' O ' ' A' ' 38' ' ' ALA . 49.0 mt . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.821 0.343 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.426 ' CD ' ' O ' ' A' ' 69' ' ' ASN . 6.1 tpp85 -112.28 130.1 56.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.461 ' CD1' ' HA3' ' A' ' 72' ' ' GLY . 3.4 m-85 -101.05 136.11 41.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.62 HD11 HD12 ' A' ' 93' ' ' LEU . 2.9 pp -135.84 164.75 31.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.101 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.516 ' CZ ' ' HG2' ' A' ' 62' ' ' LYS . 18.1 m-85 -63.42 133.88 54.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -55.88 -170.08 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.501 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.69 155.49 18.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.754 0.311 . . . . 0.0 111.154 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 49.47 49.91 19.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.405 HG12 ' HE2' ' A' ' 62' ' ' LYS . 84.9 t -95.64 118.26 41.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.177 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.68 144.62 79.82 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.617 0.723 . . . . 0.0 111.039 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -44.37 2.11 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.645 2.23 . . . . 0.0 112.336 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -47.77 -40.38 20.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.076 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 87.5 m -68.19 -54.94 14.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.516 ' HG2' ' CZ ' ' A' ' 53' ' ' PHE . 42.9 mtmt -54.65 -34.51 62.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -58.42 -51.07 71.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.835 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 77' ' ' GLN . 2.3 mp -69.82 -52.67 23.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.952 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -104.89 131.46 52.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.503 ' HB2' ' HG3' ' A' ' 77' ' ' GLN . . . -105.13 159.91 15.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.428 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 18.1 tp -137.81 125.14 21.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 -95.0 131.73 40.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.426 ' O ' ' CD ' ' A' ' 50' ' ' ARG . 1.3 m120 -85.95 -15.53 41.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 90.0 m -89.42 -28.4 19.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 77.2 p -114.38 -26.96 7.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.157 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.461 ' HA3' ' CD1' ' A' ' 51' ' ' TYR . . . 69.13 28.51 72.77 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.513 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.617 HD13 ' HB2' ' A' ' 35' ' ' GLN . 29.7 tp -112.36 134.29 53.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.741 0.305 . . . . 0.0 110.944 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.438 HD11 HG21 ' A' ' 92' ' ' VAL . 55.8 mt -98.23 132.13 43.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.118 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.759 HG22 ' HA ' ' A' ' 32' ' ' SER . 23.6 p -139.05 159.58 41.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 45.9 t -67.51 100.3 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.503 ' HG3' ' HB2' ' A' ' 66' ' ' ALA . 4.4 tt0 -67.0 -49.82 64.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 38.5 mtp180 -137.66 162.93 32.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 10.3 t -46.68 156.05 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.9 mt -106.54 142.26 36.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.427 ' CG ' ' HG2' ' A' ' 83' ' ' GLU . 9.6 t0 -124.71 127.66 47.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' A' ' 84' ' ' GLU . 17.3 mtp180 -87.29 -42.7 12.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.427 ' HG2' ' CG ' ' A' ' 81' ' ' ASP . 12.5 pt-20 -39.25 -26.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 82' ' ' ARG . 21.8 tp10 -99.89 -56.88 2.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.652 HG21 ' CE1' ' A' ' 88' ' ' HIS . 14.0 t -138.82 133.6 32.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.135 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -97.43 -28.76 13.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.077 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 65.0 mt -120.71 133.67 66.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.169 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.652 ' CE1' HG21 ' A' ' 85' ' ' THR . 69.1 m-70 -113.83 140.56 48.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -125.79 105.8 9.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 52.0 t -114.15 134.91 55.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.16 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 8.4 m -116.64 131.28 56.99 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.133 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.454 HG11 ' CD1' ' A' ' 36' ' ' LEU . 33.5 t -121.6 137.15 56.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.151 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.62 HD12 HD11 ' A' ' 52' ' ' ILE . 55.3 mt -102.93 155.94 18.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.455 ' HB2' ' CZ ' ' A' ' 14' ' ' PHE . . . -135.38 114.39 12.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.796 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.423 ' O ' HG23 ' A' ' 49' ' ' ILE . 15.0 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.23 0.108 0 CA-C-O 120.768 0.237 . . . . 0.0 112.32 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -92.03 161.93 14.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.095 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 37.1 ptt180 -126.09 132.23 51.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -124.13 117.21 24.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 95.5 m -90.56 119.46 30.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.157 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 67.7 t -112.26 125.76 69.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 25.4 m -97.36 118.28 33.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.146 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 59.5 mt -107.45 101.71 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -85.36 125.13 32.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 24.2 t -94.14 115.67 33.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 78.7 p -97.55 169.3 9.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -83.23 -177.75 6.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.576 HG21 ' HB2' ' A' ' 26' ' ' ASN . 19.6 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.136 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.143 0 CA-C-O 120.843 0.268 . . . . 0.0 112.346 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.4 p -142.23 133.61 25.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.08 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.525 ' CZ ' ' HB2' ' A' ' 94' ' ' ALA . 6.1 m-85 -97.62 76.86 2.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt -38.84 133.12 1.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.57 ' O ' HG23 ' A' ' 19' ' ' VAL . 27.7 mt-10 62.11 46.41 6.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -40.42 -88.17 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.553 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.3 mp0 -72.06 118.69 15.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.831 0.348 . . . . 0.0 110.935 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 16' ' ' GLU . 43.7 t -140.66 151.02 20.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -115.61 140.77 48.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.8 m -136.06 163.02 35.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.147 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -131.54 104.43 6.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.407 HD11 ' CB ' ' A' ' 27' ' ' ALA . 1.9 tt -123.44 135.9 26.57 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.616 0.722 . . . . 0.0 111.137 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.412 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 53.2 Cg_endo -69.78 148.26 64.55 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.7 2.267 . . . . 0.0 112.353 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -59.16 -39.7 83.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.488 ' HB2' HG11 ' A' ' 113' ' ' VAL . 19.8 m120 -85.36 13.35 6.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.412 ' HB2' ' O ' ' A' ' 24' ' ' PRO . . . -45.05 143.51 2.36 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.567 0.698 . . . . 0.0 111.104 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 129.86 18.32 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.702 2.268 . . . . 0.0 112.329 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.496 HG13 ' O ' ' A' ' 76' ' ' VAL . 96.1 t -56.82 134.19 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.118 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.5 12.21 36.2 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.521 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 39.0 m -89.78 121.87 32.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.747 0.308 . . . . 0.0 111.165 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.681 ' OG ' HD11 ' A' ' 73' ' ' LEU . 38.4 t -68.3 112.54 5.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.9 t -81.61 -54.84 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.109 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.902 HD13 ' N ' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -141.9 152.94 18.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.145 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.902 ' N ' HD13 ' A' ' 34' ' ' ILE . 21.2 tt0 -132.78 128.13 36.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.413 HD22 ' CD1' ' A' ' 14' ' ' PHE . 17.0 mt -106.48 142.72 35.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -133.93 107.11 7.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.834 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -125.99 109.21 12.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.8 p . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 -179.909 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.435 ' CG2' ' HB1' ' A' ' 94' ' ' ALA . 80.8 mt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.793 0.33 . . . . 0.0 111.123 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.2 mmt-85 -107.56 150.79 26.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.831 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.511 ' CD2' ' CA ' ' A' ' 72' ' ' GLY . 46.4 m-85 -110.82 104.96 13.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.447 HG22 ' ND2' ' A' ' 69' ' ' ASN . 8.6 pt -114.5 170.63 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.099 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.45 ' CD2' ' HD3' ' A' ' 62' ' ' LYS . 50.9 m-85 -64.97 141.59 58.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 91' ' ' THR . . . -78.45 -165.19 27.17 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.502 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.99 149.29 21.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.749 0.309 . . . . 0.0 111.082 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 60.24 51.14 5.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.5 t -114.39 115.86 50.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.03 150.52 14.86 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.573 0.701 . . . . 0.0 111.082 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -35.64 12.27 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.683 2.255 . . . . 0.0 112.308 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.3 -47.55 85.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.072 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.542 HG21 HG22 ' A' ' 90' ' ' VAL . 30.8 m -57.63 -31.46 66.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.122 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.45 ' HD3' ' CD2' ' A' ' 53' ' ' PHE . 47.5 mttt -67.22 -36.9 82.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.902 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -78.78 -67.38 0.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.885 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 96.4 mt -41.4 -45.73 3.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.434 ' CZ ' HD22 ' A' ' 80' ' ' LEU . 92.3 m-85 -108.77 126.61 53.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.05 145.9 24.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 15.5 tp -127.09 136.69 52.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -99.63 126.37 45.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.447 ' ND2' HG22 ' A' ' 52' ' ' ILE . 4.7 m120 -87.18 -3.8 59.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 76.2 p -106.57 -24.78 12.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.171 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 28.2 p -125.23 -0.63 7.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.155 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.511 ' CA ' ' CD2' ' A' ' 51' ' ' TYR . . . 47.99 35.2 12.84 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.513 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.681 HD11 ' OG ' ' A' ' 32' ' ' SER . 22.3 tp -105.64 145.48 30.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.837 0.351 . . . . 0.0 110.887 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.46 HD12 ' CG2' ' A' ' 34' ' ' ILE . 72.9 mt -113.63 117.31 55.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 28.7 p -121.63 159.6 26.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.496 ' O ' HG13 ' A' ' 29' ' ' VAL . 46.3 t -74.68 118.35 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -81.56 -45.46 15.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 42.3 mtp180 -150.92 169.01 22.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 t -45.93 162.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.434 HD22 ' CZ ' ' A' ' 65' ' ' PHE . 2.5 mt -123.63 166.32 15.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.919 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -131.55 125.2 31.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 33.6 ttp180 -85.81 -25.09 26.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -57.81 -25.91 61.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -92.35 -62.26 1.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.853 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.467 ' O ' HG23 ' A' ' 85' ' ' THR . 7.3 t -138.16 118.44 13.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.099 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -78.02 -38.0 45.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.097 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 87.5 mt -109.55 132.13 58.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.094 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.442 ' CE1' HG23 ' A' ' 85' ' ' THR . 16.9 m80 -112.26 130.92 55.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 39.0 mttt -120.08 111.8 18.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.542 HG22 HG21 ' A' ' 61' ' ' THR . 88.5 t -118.03 137.25 52.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.839 HG23 ' O ' ' A' ' 104' ' ' ALA . 60.7 m -121.48 130.25 53.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.156 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 84.0 t -113.58 150.08 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' A' ' 103' ' ' ARG . 17.0 mt -125.24 137.07 54.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.525 ' HB2' ' CZ ' ' A' ' 14' ' ' PHE . . . -112.4 107.74 16.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.1 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 86.1 p . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.79 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.23 0.117 0 CA-C-O 120.752 0.23 . . . . 0.0 112.334 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.67 158.94 31.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.096 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.472 ' HA ' HD23 ' A' ' 93' ' ' LEU . 34.4 ptt85 -122.93 150.08 43.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.912 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.839 ' O ' HG23 ' A' ' 91' ' ' THR . . . -142.04 152.52 43.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 11.8 m -129.64 134.83 47.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.118 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 45.1 t -130.0 131.88 65.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.2 m -103.13 121.32 42.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 37.4 mt -113.4 133.79 58.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -112.33 143.25 43.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 57.1 t -119.06 107.77 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.133 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.455 ' OG1' ' N ' ' A' ' 112' ' ' ASP . 0.1 OUTLIER -104.38 171.46 7.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.074 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.455 ' N ' ' OG1' ' A' ' 111' ' ' THR . 27.5 t70 -61.22 169.29 2.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.488 HG11 ' HB2' ' A' ' 26' ' ' ASN . 1.3 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.082 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.232 0.187 0 CA-C-O 120.79 0.246 . . . . 0.0 112.342 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.7 p -80.56 131.22 34.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -92.9 104.15 16.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.6 tttm -75.85 135.94 40.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 61.34 43.67 10.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.86 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -40.41 -64.95 1.06 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.481 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -93.51 126.06 38.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 0.0 110.916 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 79.6 t -153.09 135.27 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.493 ' CG ' ' OD1' ' A' ' 109' ' ' ASN . 6.8 tt0 -98.22 120.96 39.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.6 m -118.2 153.85 20.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 7.3 p-80 -113.63 129.21 56.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.476 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 5.3 tt -149.05 136.37 10.96 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.693 0.758 . . . . 0.0 111.115 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.476 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.8 Cg_endo -69.72 150.33 68.34 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.725 2.284 . . . . 0.0 112.336 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -68.29 -30.99 70.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 40.1 m-20 -88.5 7.19 34.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -40.21 142.56 0.71 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.604 0.716 . . . . 0.0 111.056 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 130.66 19.74 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.704 2.269 . . . . 0.0 112.345 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 19.4 t -51.7 121.05 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 106.79 15.84 15.63 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.508 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 90.5 m -78.11 140.67 39.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.782 0.325 . . . . 0.0 111.166 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.4 p -79.98 110.21 15.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 57.6 t -85.09 -73.05 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.118 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.513 HG21 HG11 ' A' ' 106' ' ' VAL . 4.4 tp -138.51 142.67 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.191 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.434 ' N ' HG13 ' A' ' 34' ' ' ILE . 40.6 tt0 -115.63 105.48 12.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.951 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.569 ' CD1' HG21 ' A' ' 92' ' ' VAL . 18.7 mt -80.29 123.8 28.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -111.25 107.32 16.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -131.22 96.13 3.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.076 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 77.2 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 -179.926 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.555 HG21 ' HB1' ' A' ' 94' ' ' ALA . 14.1 mt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.796 0.332 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.4 mmm-85 -105.11 125.94 51.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -89.89 127.87 36.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.952 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 7.6 pt -128.72 161.75 37.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.133 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -62.83 140.28 58.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -66.77 -150.93 0.15 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.501 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -104.48 152.48 22.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.755 0.312 . . . . 0.0 111.063 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 51.11 52.13 15.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.2 t -99.22 134.59 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.97 143.41 97.96 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.564 0.697 . . . . 0.0 111.115 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -42.77 3.04 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.644 2.23 . . . . 0.0 112.358 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -47.81 -53.06 16.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.094 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 94.1 m -59.74 -62.74 1.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.7 mtpp -39.21 -30.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -83.11 -50.93 7.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.501 HD22 ' O ' ' A' ' 79' ' ' SER . 76.8 mt -59.72 -52.8 63.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -99.21 132.31 44.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -104.2 117.43 34.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.108 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 30.7 tp -93.13 88.82 6.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.916 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -49.75 124.82 10.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -92.79 26.0 2.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.3 p -122.86 -28.71 4.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.171 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 29.9 p -126.32 -28.71 3.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.11 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.41 35.57 16.88 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.471 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.3 tp -112.59 132.18 55.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.784 0.326 . . . . 0.0 110.942 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 10.3 mm -83.78 136.2 23.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.162 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 40.2 p -139.86 174.99 9.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.088 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 93.5 t -100.92 111.16 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.148 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -82.99 -38.16 23.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.8 mtp85 -143.94 154.54 43.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.501 ' O ' HD22 ' A' ' 64' ' ' LEU . 4.0 m -44.11 155.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.8 mt -115.77 163.35 15.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -126.63 127.37 45.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.2 -41.53 16.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -50.11 -45.98 53.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -69.92 -64.86 0.8 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.735 HG21 ' CE1' ' A' ' 88' ' ' HIS . 7.4 t -124.54 136.98 54.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.12 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -96.47 -34.07 11.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.704 HG21 ' HE3' ' A' ' 89' ' ' LYS . 58.0 mt -120.69 147.67 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.735 ' CE1' HG21 ' A' ' 85' ' ' THR . 54.5 m-70 -127.46 115.48 18.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.704 ' HE3' HG21 ' A' ' 87' ' ' ILE . 0.9 OUTLIER -101.05 111.97 24.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 72.0 t -113.62 112.61 41.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.094 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 17.6 m -88.18 136.78 32.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.569 HG21 ' CD1' ' A' ' 36' ' ' LEU . 58.3 t -124.46 129.54 73.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 59.1 mt -114.98 131.91 56.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.555 ' HB1' HG21 ' A' ' 49' ' ' ILE . . . -115.38 108.38 16.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.082 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.759 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.466 -0.121 0 CA-C-O 120.805 0.252 . . . . 0.0 112.325 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -83.7 147.57 27.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.096 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 -114.95 136.41 53.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -143.44 123.62 13.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.162 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 54.7 m -102.09 137.63 40.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.152 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.513 HG11 HG21 ' A' ' 34' ' ' ILE . 77.8 t -120.49 112.74 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.171 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.4 m -74.92 118.59 18.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.117 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 60.7 mt -116.08 110.19 30.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.19 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.51 ' N ' ' ND2' ' A' ' 109' ' ' ASN . 0.8 OUTLIER -86.68 149.74 24.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 65.7 t -113.62 113.68 44.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 40.2 p -102.46 170.85 7.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -101.36 144.66 29.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.886 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 31.0 m . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.123 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.156 0 CA-C-O 120.838 0.266 . . . . 0.0 112.323 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 93.3 t -148.79 130.78 5.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.898 ' CD2' ' HB2' ' A' ' 104' ' ' ALA . 22.9 m-85 -75.74 139.95 42.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.5 tptt -42.77 -47.73 5.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -151.38 116.24 5.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -42.88 -68.31 0.79 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.466 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -110.29 134.28 52.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.876 0.37 . . . . 0.0 110.908 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.5 t -146.05 143.91 21.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -109.5 131.24 55.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.9 m -121.95 147.19 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.524 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 7.0 p-80 -115.02 114.76 25.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.473 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 4.5 tt -139.19 136.52 18.16 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.651 0.739 . . . . 0.0 111.113 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.473 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.8 Cg_endo -69.82 155.6 65.32 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.68 2.253 . . . . 0.0 112.367 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -70.58 -37.72 73.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 27' ' ' ALA . 60.5 t30 -78.09 -0.4 27.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 26' ' ' ASN . . . -36.51 143.71 0.3 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.63 0.729 . . . . 0.0 111.049 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 130.85 20.09 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.682 2.255 . . . . 0.0 112.372 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.5 t -54.82 124.66 8.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.84 -7.01 25.76 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.513 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 24.2 m -60.86 144.38 52.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.815 0.34 . . . . 0.0 111.128 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.7 p -85.17 107.83 17.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.849 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.412 HG21 ' HD2' ' A' ' 65' ' ' PHE . 38.9 t -72.77 -72.08 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.125 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.732 ' CG2' HD12 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -138.74 141.12 37.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.142 179.924 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.477 ' N ' HD13 ' A' ' 34' ' ' ILE . 23.8 tp60 -120.19 123.93 44.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.541 HD22 ' CD1' ' A' ' 14' ' ' PHE . 54.7 mt -101.53 124.05 46.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 74.0 m-70 -106.34 106.64 17.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -119.82 111.11 17.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 71.9 p . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.176 -179.923 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.801 HG23 ' O ' ' A' ' 95' ' ' SER . 95.6 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.834 0.35 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.6 mtm180 -92.89 133.47 36.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.576 ' CD1' ' HA3' ' A' ' 72' ' ' GLY . 77.2 m-85 -101.46 111.88 24.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 44.2 pt -110.74 174.83 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.121 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.475 ' CE1' ' HG2' ' A' ' 62' ' ' LYS . 54.1 m-85 -76.94 140.31 40.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -60.36 -154.91 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.457 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -104.49 154.1 20.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.773 0.32 . . . . 0.0 111.083 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 48.57 47.31 20.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 96.5 t -101.8 117.71 47.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.17 147.86 64.36 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.546 0.688 . . . . 0.0 111.148 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -42.54 3.32 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.668 2.246 . . . . 0.0 112.381 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -47.54 -47.42 28.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 99.8 m -63.41 -31.39 72.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.121 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.475 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 9.9 mtmp? -79.25 -16.83 55.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -76.07 -59.04 2.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.44 ' CD2' ' HA ' ' A' ' 80' ' ' LEU . 9.5 mp -60.64 -48.4 81.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.476 ' CZ ' HD22 ' A' ' 80' ' ' LEU . 78.9 m-85 -101.16 138.32 38.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -118.85 125.36 49.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.117 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.3 tp -99.51 124.33 44.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -78.99 115.37 18.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -79.04 9.25 4.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 46.9 p -116.21 -28.67 6.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.145 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 82.5 p -130.5 16.5 5.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.576 ' HA3' ' CD1' ' A' ' 51' ' ' TYR . . . 38.54 41.69 1.21 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.502 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.5 tp -115.11 131.21 57.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.8 0.333 . . . . 0.0 110.903 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.732 HD12 ' CG2' ' A' ' 34' ' ' ILE . 65.9 mt -98.91 119.15 46.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.199 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.3 p -118.1 162.6 17.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 86.0 t -79.86 107.03 11.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -69.45 -52.67 24.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 50.9 mtp180 -141.13 170.17 16.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.8 p -47.11 153.56 0.44 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.476 HD22 ' CZ ' ' A' ' 65' ' ' PHE . 6.2 mt -105.88 150.0 26.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.954 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -120.65 152.88 37.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.822 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 84' ' ' GLU . 14.0 mtm105 -116.68 -40.15 3.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -40.57 -26.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 82' ' ' ARG . 0.6 OUTLIER -98.96 -59.58 1.7 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.591 HG21 ' CE1' ' A' ' 88' ' ' HIS . 14.6 t -137.84 137.38 38.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -98.8 -43.42 6.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 47.4 mm -100.44 138.84 23.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.151 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.591 ' CE1' HG21 ' A' ' 85' ' ' THR . 58.2 m-70 -123.78 116.76 23.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.787 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.1 mttm -108.83 105.32 14.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 67.3 t -110.42 131.69 60.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 45.3 m -108.55 113.63 26.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.144 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 38.2 t -98.7 143.72 12.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 74.0 mt -109.95 155.53 21.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -141.5 123.4 15.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.087 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.801 ' O ' HG23 ' A' ' 49' ' ' ILE . 10.4 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.794 0.248 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.14 141.41 57.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.098 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 12.8 ptt-85 -111.37 149.34 31.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.828 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.898 ' HB2' ' CD2' ' A' ' 14' ' ' PHE . . . -149.64 122.07 8.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.071 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 87.4 m -88.83 135.53 33.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 88.0 t -125.46 132.57 70.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.156 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.8 m -106.76 114.75 29.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 19.7 mt -106.03 131.69 54.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.173 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -114.78 133.45 55.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 48.4 t -98.45 115.21 38.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 44.4 p -100.56 154.28 18.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.173 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -58.24 179.67 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.833 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.444 ' CG1' ' HB2' ' A' ' 24' ' ' PRO . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--O 1.231 0.161 0 CA-C-O 120.813 0.256 . . . . 0.0 112.302 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.5 m -100.26 126.71 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.123 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 1.024 ' CD1' HD22 ' A' ' 36' ' ' LEU . 79.7 m-85 -63.69 165.86 7.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.9 ptmt -66.39 -51.04 61.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -132.88 127.45 34.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -38.57 -61.43 1.29 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.461 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.95 159.74 39.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.845 0.355 . . . . 0.0 110.896 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 60.8 t -150.01 133.98 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.105 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -101.14 135.1 43.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 32.4 m -132.38 165.81 31.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 -133.21 115.03 14.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.821 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.466 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 6.9 tt -127.76 136.23 28.67 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.644 0.735 . . . . 0.0 111.153 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.466 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.5 Cg_endo -69.81 137.35 35.12 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.648 2.232 . . . . 0.0 112.36 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -50.99 -40.52 58.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.474 ' HB2' HG11 ' A' ' 113' ' ' VAL . 3.7 m120 -85.65 24.22 1.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.46 ' HB2' ' O ' ' A' ' 24' ' ' PRO . . . -59.64 143.28 86.78 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.579 0.704 . . . . 0.0 111.109 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 128.07 15.5 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.669 2.246 . . . . 0.0 112.337 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.551 HG13 ' O ' ' A' ' 76' ' ' VAL . 94.4 t -53.19 122.3 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.37 15.83 10.99 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.514 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 24.8 m -87.45 116.72 25.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.806 0.336 . . . . 0.0 111.116 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.432 ' HA ' HG22 ' A' ' 75' ' ' THR . 78.3 p -58.67 106.48 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 65.5 t -78.17 -61.32 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.107 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.522 ' CG2' HD12 ' A' ' 74' ' ' ILE . 6.4 tp -144.71 146.55 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.444 ' N ' HG13 ' A' ' 34' ' ' ILE . 20.1 tt0 -128.44 125.64 38.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 1.024 HD22 ' CD1' ' A' ' 14' ' ' PHE . 19.9 mt -100.55 127.92 46.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 63.2 t60 -112.71 105.79 14.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -129.99 103.7 6.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 32.6 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 -179.895 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 75.1 mt . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.778 0.323 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.49 ' CD ' ' HB3' ' A' ' 69' ' ' ASN . 13.1 tpp180 -108.86 120.38 42.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.45 ' O ' ' CG ' ' A' ' 69' ' ' ASN . 41.5 m-85 -93.91 120.5 34.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.964 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.626 HG22 ' OD1' ' A' ' 69' ' ' ASN . 0.2 OUTLIER -136.34 167.24 24.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.148 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -68.11 147.57 52.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -65.39 -155.29 0.22 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.495 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.72 156.05 17.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.723 0.296 . . . . 0.0 111.075 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 60.37 42.0 15.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 44.5 t -100.75 130.75 49.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.082 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.79 149.36 87.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.612 0.72 . . . . 0.0 111.06 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -49.86 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.659 2.239 . . . . 0.0 112.354 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -40.9 -47.3 2.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.101 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.576 HG21 HG22 ' A' ' 90' ' ' VAL . 84.9 m -57.57 -46.02 84.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.16 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -58.91 -61.97 2.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 43.9 ttt180 -37.91 -48.19 1.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.8 mp -67.17 -58.38 4.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.741 ' CZ ' HD22 ' A' ' 80' ' ' LEU . 75.8 m-85 -105.03 122.56 46.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -99.78 139.63 35.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.097 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 50.2 tp -114.03 135.03 54.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 45.4 m-20 -100.36 143.45 30.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.76 HD22 ' N ' ' A' ' 69' ' ' ASN . 0.6 OUTLIER -98.59 -4.98 32.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.8 p -105.19 -24.76 12.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 80.2 p -122.39 -14.91 7.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.089 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 54.84 39.58 68.57 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.438 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.427 HD13 ' HB2' ' A' ' 35' ' ' GLN . 14.8 tp -120.95 127.93 52.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.8 0.333 . . . . 0.0 110.944 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.522 HD12 ' CG2' ' A' ' 34' ' ' ILE . 55.0 mt -94.49 124.05 46.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.432 HG22 ' HA ' ' A' ' 32' ' ' SER . 20.1 p -125.99 159.9 31.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.158 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.551 ' O ' HG13 ' A' ' 29' ' ' VAL . 95.2 t -72.19 105.64 2.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.127 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -80.06 -44.37 20.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 76.8 mtt-85 -136.47 164.11 28.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.3 t -48.92 153.79 0.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.741 HD22 ' CZ ' ' A' ' 65' ' ' PHE . 3.7 mt -108.46 142.4 38.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -112.08 119.98 40.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -82.95 -51.35 7.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.818 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -42.1 -47.67 4.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -69.09 -63.39 1.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.7 HG21 ' CE1' ' A' ' 88' ' ' HIS . 11.9 t -130.72 128.41 40.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -88.46 -48.16 7.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.079 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 21.9 mt -108.13 133.77 52.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.7 ' CE1' HG21 ' A' ' 85' ' ' THR . 26.5 m-70 -110.58 116.18 30.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.3 mmtp -101.32 108.53 20.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.576 HG22 HG21 ' A' ' 61' ' ' THR . 57.5 t -122.21 127.01 75.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.108 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 11.7 m -106.75 131.59 53.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 88.6 t -105.96 145.0 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 93' ' ' LEU . 13.5 mt -116.42 132.71 56.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -118.87 117.96 30.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.08 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 45.8 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.785 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.23 0.114 0 CA-C-O 120.812 0.255 . . . . 0.0 112.344 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -87.33 156.93 19.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.126 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 5.1 ptp85 -131.39 145.49 51.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -139.31 120.29 14.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.099 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 62.3 m -83.23 125.69 31.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.191 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.451 HG11 HG21 ' A' ' 34' ' ' ILE . 99.3 t -117.71 121.62 67.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.094 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 12.0 m -98.3 120.95 39.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.085 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 27.6 mt -114.94 107.31 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -89.53 146.82 24.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 76.2 t -109.85 117.15 54.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 21.5 p -96.69 171.75 8.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.193 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -81.0 157.98 25.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 113' ' ' VAL . 33.0 m . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.193 0 CA-C-O 120.842 0.267 . . . . 0.0 112.331 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.8 p -173.12 131.1 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.507 ' CD1' HD23 ' A' ' 36' ' ' LEU . 15.7 m-85 -83.32 121.92 27.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 14' ' ' PHE . 25.5 ttmt -37.07 -53.72 0.99 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -135.76 126.04 26.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.51 -60.1 8.77 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.497 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -112.75 128.92 56.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.871 0.367 . . . . 0.0 110.875 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.6 t -134.59 117.4 23.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -89.62 126.4 35.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.6 m -118.14 153.75 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.525 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 27.9 p-80 -117.4 113.92 22.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.468 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 0.7 OUTLIER -140.39 138.58 19.14 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.634 0.73 . . . . 0.0 111.141 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.468 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 54.0 Cg_endo -69.75 151.0 68.99 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.644 2.23 . . . . 0.0 112.386 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.455 ' HB3' ' CG1' ' A' ' 110' ' ' VAL . 21.3 pt-20 -64.83 -32.96 74.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.435 ' CG ' ' O ' ' A' ' 26' ' ' ASN . 31.2 t30 -94.19 27.67 2.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.937 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.414 ' CB ' HD11 ' A' ' 23' ' ' ILE . . . -58.19 144.08 77.6 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.613 0.72 . . . . 0.0 111.11 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 133.22 25.04 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.671 2.247 . . . . 0.0 112.337 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.464 HG13 ' O ' ' A' ' 76' ' ' VAL . 94.6 t -55.53 129.1 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.108 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 107.77 2.83 34.62 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.527 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 25.5 m -78.65 128.01 32.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.786 0.327 . . . . 0.0 111.188 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.89 114.48 8.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.6 t -85.54 -67.38 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.157 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.7 tp -141.64 140.67 30.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.13 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.528 ' HB2' HD13 ' A' ' 73' ' ' LEU . 31.4 tt0 -131.37 129.06 40.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.507 HD23 ' CD1' ' A' ' 14' ' ' PHE . 5.0 mp -98.23 148.93 23.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.952 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -135.36 106.53 6.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -126.68 127.79 45.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 77.2 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 -179.909 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 80.6 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.837 0.351 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 22.1 mmt-85 -98.34 127.37 44.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.425 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 9.9 m-85 -102.05 141.68 34.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 27.2 pt -141.33 178.15 3.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.106 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.539 ' CE1' ' HG2' ' A' ' 62' ' ' LYS . 42.4 m-85 -79.38 139.13 37.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -69.11 -176.4 13.22 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.467 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.58 154.85 21.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.779 0.323 . . . . 0.0 111.073 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 55.34 52.28 11.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 85.1 t -113.9 112.67 41.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -46.67 144.51 3.51 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.552 0.691 . . . . 0.0 111.096 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -30.03 22.78 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.67 2.247 . . . . 0.0 112.366 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.24 -36.0 82.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.067 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.568 HG21 HG22 ' A' ' 90' ' ' VAL . 24.7 m -70.2 -43.23 71.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.158 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.539 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 36.0 mtmt -67.52 -30.98 70.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -76.84 -38.06 54.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 43.8 mt -76.61 -34.43 58.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.946 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -112.64 125.85 54.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.56 130.37 44.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.133 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 41.1 tp -109.87 137.2 47.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -100.97 118.2 36.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.425 ' ND2' ' O ' ' A' ' 51' ' ' TYR . 1.0 OUTLIER -82.06 2.78 29.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.4 p -113.6 -23.6 9.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.169 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 63.8 p -124.64 -12.02 7.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 56.74 39.48 87.0 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.481 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.528 HD13 ' HB2' ' A' ' 35' ' ' GLN . 20.8 tp -120.62 131.69 54.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.773 0.321 . . . . 0.0 110.883 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 70.4 mt -101.72 128.64 53.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.14 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 31.8 p -129.2 159.48 35.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.464 ' O ' HG13 ' A' ' 29' ' ' VAL . 97.7 t -72.31 106.17 2.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -79.06 -35.45 42.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 33.7 mtt-85 -145.9 164.83 30.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.9 t -58.5 146.35 35.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.816 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.1 mt -109.92 152.72 25.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -130.65 158.37 40.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.835 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.424 ' O ' ' N ' ' A' ' 84' ' ' GLU . 11.1 mtt180 -100.4 -38.51 8.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -41.95 -24.86 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 82' ' ' ARG . 2.0 tm-20 -99.35 -65.34 0.97 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.675 HG21 ' CE1' ' A' ' 88' ' ' HIS . 10.4 t -137.69 121.32 17.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.146 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -78.39 -44.44 24.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.118 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 88.8 mt -109.91 138.52 37.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.675 ' CE1' HG21 ' A' ' 85' ' ' THR . 25.1 m-70 -114.93 118.42 33.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -103.14 105.08 15.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.568 HG22 HG21 ' A' ' 61' ' ' THR . 57.3 t -114.54 129.78 70.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.124 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 14.8 m -113.47 129.53 56.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 59.8 t -106.93 145.77 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.629 HD21 ' HD3' ' A' ' 103' ' ' ARG . 53.9 mt -119.47 129.23 54.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -120.84 119.31 32.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 35.4 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.828 -179.757 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 N--CA 1.466 -0.117 0 CA-C-O 120.841 0.267 . . . . 0.0 112.295 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -98.43 129.17 45.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.629 ' HD3' HD21 ' A' ' 93' ' ' LEU . 12.2 mmt85 -90.62 144.48 25.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.456 ' HB2' ' CD2' ' A' ' 14' ' ' PHE . . . -145.64 118.39 8.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.093 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 26.1 m -102.84 132.91 48.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.14 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 47.7 t -126.24 122.74 62.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.074 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 25.5 m -95.1 107.81 19.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 41.2 mt -101.42 102.54 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -85.11 129.16 34.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.455 ' CG1' ' HB3' ' A' ' 25' ' ' GLU . 92.4 t -95.76 118.23 41.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.127 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 68.2 p -97.13 155.96 16.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.08 173.92 3.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.461 ' CG1' ' HB2' ' A' ' 24' ' ' PRO . 2.8 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.125 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.156 0 CA-C-O 120.827 0.261 . . . . 0.0 112.34 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 84.1 t -85.93 137.01 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.77 ' CD2' ' HB2' ' A' ' 104' ' ' ALA . 7.7 m-85 -86.18 149.29 25.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.7 ttpt -63.75 -50.93 67.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.8 mp0 -138.58 110.42 7.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -47.55 -54.71 10.34 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.49 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -120.03 136.91 54.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.84 0.353 . . . . 0.0 110.917 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 52.1 t -147.13 125.95 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -95.14 132.66 39.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.1 m -128.46 149.26 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -112.3 105.79 14.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.478 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 8.8 tt -120.75 136.04 25.16 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.679 0.752 . . . . 0.0 111.103 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.688 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 53.4 Cg_endo -69.78 162.46 41.98 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.699 2.266 . . . . 0.0 112.318 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -82.7 -19.15 38.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.879 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.483 ' HB3' HG11 ' A' ' 113' ' ' VAL . 33.0 t30 -105.19 19.3 20.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.688 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -56.58 143.88 66.18 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.593 0.711 . . . . 0.0 111.089 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 149.24 66.93 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.686 2.257 . . . . 0.0 112.32 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.4 t -69.85 117.25 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.065 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 118.62 1.47 15.3 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.7 m -67.17 153.19 44.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.811 0.339 . . . . 0.0 111.1 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.9 p -93.26 121.24 34.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 89.7 t -91.43 -70.18 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.4 HG13 ' N ' ' A' ' 35' ' ' GLN . 4.3 tp -136.91 141.32 40.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.4 ' N ' HG13 ' A' ' 34' ' ' ILE . 23.2 tt0 -113.08 97.9 6.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.556 HD12 HG21 ' A' ' 92' ' ' VAL . 34.1 mt -88.51 136.76 32.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -136.14 127.74 28.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -132.58 133.19 43.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.068 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.7 p . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 -179.912 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 70.0 mt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.861 0.362 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.446 ' CD ' ' O ' ' A' ' 69' ' ' ASN . 17.7 mmt85 -96.28 143.44 27.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.526 ' CD1' ' CA ' ' A' ' 72' ' ' GLY . 65.6 m-85 -113.28 113.85 25.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 20.4 pt -120.58 160.47 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.113 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -67.26 131.71 46.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.498 ' HA2' HD23 ' A' ' 93' ' ' LEU . . . -57.94 -166.96 0.12 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.14 155.81 16.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.748 0.309 . . . . 0.0 111.086 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 60.7 42.11 14.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 93.0 t -106.91 117.47 52.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.119 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -48.04 146.56 4.17 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.534 0.683 . . . . 0.0 111.141 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -36.41 10.83 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.677 2.252 . . . . 0.0 112.34 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.98 -47.58 84.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.075 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 43.3 m -59.03 -41.65 88.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.7 mtmt -68.2 -27.21 66.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.862 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 40.5 mtm180 -74.06 -52.41 12.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.672 HD12 HD23 ' A' ' 80' ' ' LEU . 3.9 mm? -59.5 -51.34 70.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.953 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.416 ' HB3' ' CG2' ' A' ' 74' ' ' ILE . 73.8 m-85 -104.47 134.49 47.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.443 ' HB2' HE21 ' A' ' 77' ' ' GLN . . . -107.67 130.98 54.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.1 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 30.9 tp -93.93 121.91 35.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -82.81 111.02 18.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.446 ' O ' ' CD ' ' A' ' 50' ' ' ARG . 1.2 m120 -83.64 18.92 1.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 27.3 p -117.66 -28.88 5.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 34.4 p -126.53 -26.11 3.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.136 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.526 ' CA ' ' CD1' ' A' ' 51' ' ' TYR . . . 89.46 25.53 27.91 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.523 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.834 ' CD2' HG23 ' A' ' 75' ' ' THR . 7.1 tt -110.87 149.0 31.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.773 0.32 . . . . 0.0 110.934 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.416 ' CG2' ' HB3' ' A' ' 65' ' ' PHE . 99.6 mt -111.9 123.86 68.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.163 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.834 HG23 ' CD2' ' A' ' 73' ' ' LEU . 5.2 p -119.27 172.45 7.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 47.4 t -80.52 112.96 19.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.443 HE21 ' HB2' ' A' ' 66' ' ' ALA . 23.8 tt0 -78.02 -40.13 39.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.958 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.4 ' HG3' ' C ' ' A' ' 77' ' ' GLN . 61.1 mtt180 -151.21 173.51 14.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.4 t -58.72 134.31 56.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.672 HD23 HD12 ' A' ' 64' ' ' LEU . 3.6 mt -89.96 155.77 18.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.931 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -122.13 114.74 21.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.811 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -72.65 -49.17 33.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -44.92 -34.85 2.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -79.38 -63.76 1.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.597 HG21 ' CE1' ' A' ' 88' ' ' HIS . 7.5 t -131.58 133.39 44.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.121 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -97.51 -29.56 13.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 47.4 mt -124.27 132.42 71.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.597 ' CE1' HG21 ' A' ' 85' ' ' THR . 34.8 m-70 -112.36 145.19 40.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -126.68 108.69 11.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.956 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 50.4 t -121.88 138.57 51.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.161 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 23.0 m -119.37 118.3 30.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.556 HG21 HD12 ' A' ' 36' ' ' LEU . 49.3 t -99.46 107.78 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.717 HD12 ' HG2' ' A' ' 101' ' ' PRO . 4.2 mm? -84.44 142.7 29.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -118.48 112.83 20.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.873 -179.814 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 101' ' ' PRO . . . . . 0.717 ' HG2' HD12 ' A' ' 93' ' ' LEU . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.158 0 CA-C-O 120.772 0.238 . . . . 0.0 112.353 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.51 ' O ' HD13 ' A' ' 93' ' ' LEU . . . -68.47 136.96 54.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.08 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 24.6 mtt180 -97.75 124.64 42.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.926 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.77 ' HB2' ' CD2' ' A' ' 14' ' ' PHE . . . -135.18 116.1 14.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.108 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 88.6 m -95.55 137.75 34.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 81.3 t -130.1 102.92 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 6.5 m -72.16 128.32 35.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 33.6 mt -119.84 101.55 11.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -84.76 133.41 34.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 86.5 t -93.58 121.49 44.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.098 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 72.3 p -107.12 147.84 29.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.15 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -66.61 160.27 25.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.483 HG11 ' HB3' ' A' ' 26' ' ' ASN . 15.4 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.162 0 CA-C-O 120.831 0.263 . . . . 0.0 112.37 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.2 p -104.52 126.43 59.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.473 ' CZ ' ' HB2' ' A' ' 94' ' ' ALA . 22.7 m-85 -75.7 117.46 17.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 14' ' ' PHE . 49.9 tttt -36.14 -53.87 0.79 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.406 ' HB3' ' CG2' ' A' ' 19' ' ' VAL . 6.8 mt-10 -127.8 126.53 41.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.09 -70.32 1.27 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.464 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -105.59 120.15 40.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.822 0.344 . . . . 0.0 110.929 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.406 ' CG2' ' HB3' ' A' ' 16' ' ' GLU . 20.5 t -131.94 135.88 57.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -106.22 127.68 53.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.543 HG21 ' CG1' ' A' ' 33' ' ' VAL . 18.5 m -127.54 147.74 32.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.496 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 27.0 p-80 -110.96 116.54 31.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.842 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.468 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 2.8 tt -134.05 136.94 27.18 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.658 0.742 . . . . 0.0 111.119 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.468 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.6 Cg_endo -69.74 144.4 54.01 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.697 2.264 . . . . 0.0 112.327 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -59.36 -35.25 73.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.781 ' HB2' HG21 ' A' ' 113' ' ' VAL . 39.1 t30 -91.15 29.4 1.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.27 143.96 97.59 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.569 0.7 . . . . 0.0 111.109 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 135.68 31.12 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.704 2.269 . . . . 0.0 112.293 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.451 HG13 ' O ' ' A' ' 76' ' ' VAL . 77.7 t -60.65 126.21 18.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.105 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.93 12.29 20.83 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.515 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 24.7 m -87.4 121.72 30.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.752 0.31 . . . . 0.0 111.127 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.747 ' HB2' HD11 ' A' ' 73' ' ' LEU . 97.6 p -70.69 105.03 3.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.543 ' CG1' HG21 ' A' ' 21' ' ' VAL . 93.8 t -73.9 -55.91 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.147 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.424 HG21 HG11 ' A' ' 106' ' ' VAL . 7.4 tt -145.03 142.94 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.114 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -114.25 107.01 15.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.51 HD12 HG21 ' A' ' 92' ' ' VAL . 97.0 mt -91.28 121.86 33.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.879 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -121.34 108.04 13.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -107.1 99.92 9.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.081 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.8 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 -179.941 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.4 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.813 0.34 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 45.2 mmm-85 -89.39 150.96 22.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -126.74 124.23 39.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.46 HD11 HD12 ' A' ' 93' ' ' LEU . 20.9 pt -133.24 171.2 18.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.107 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.401 ' CZ ' ' CB ' ' A' ' 67' ' ' LEU . 60.8 m-85 -78.84 144.23 35.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -73.5 -168.29 14.97 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.489 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -89.83 158.53 17.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.757 0.313 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 61.02 41.81 13.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 87.0 t -109.25 128.63 65.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.09 144.83 99.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.593 0.711 . . . . 0.0 111.139 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -44.09 2.25 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.664 2.243 . . . . 0.0 112.308 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.21 -48.02 62.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.129 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.474 HG21 HG22 ' A' ' 90' ' ' VAL . 40.8 m -59.79 -37.79 80.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.162 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -72.23 -29.6 64.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 41.2 mtm-85 -74.62 -49.82 20.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.435 HD22 ' O ' ' A' ' 79' ' ' SER . 91.3 mt -67.24 -36.87 82.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -109.2 121.79 45.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.36 137.29 32.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.401 ' CB ' ' CZ ' ' A' ' 53' ' ' PHE . 53.3 tp -111.8 132.31 54.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -95.59 138.57 33.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -101.71 5.03 41.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 43.1 p -117.79 -27.06 6.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.139 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.7 p -123.28 -18.35 6.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.127 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 63.41 23.98 67.14 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.462 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.747 HD11 ' HB2' ' A' ' 32' ' ' SER . 17.3 tp -96.99 121.91 39.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.788 0.328 . . . . 0.0 110.923 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 73.4 mt -89.35 125.91 42.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.523 HG22 ' HA ' ' A' ' 32' ' ' SER . 31.3 p -131.14 166.65 20.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.164 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.451 ' O ' HG13 ' A' ' 29' ' ' VAL . 91.8 t -78.2 126.08 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -96.13 -40.45 9.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.4 ' CB ' HH11 ' A' ' 78' ' ' ARG . 5.3 mtm105 -143.28 166.26 25.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.435 ' O ' HD22 ' A' ' 64' ' ' LEU . 48.8 p -50.47 151.31 2.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.8 mt -110.23 149.79 29.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.936 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -122.98 137.13 55.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 84' ' ' GLU . 51.1 ttp85 -100.22 -42.75 6.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -39.01 -28.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 82' ' ' ARG . 6.2 tp10 -96.02 -60.02 1.72 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.856 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 13.3 t -136.6 130.68 32.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.168 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -99.59 -9.82 22.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 86.9 mt -130.77 140.09 49.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -126.51 133.18 51.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.9 mmtp -117.14 123.17 46.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.474 HG22 HG21 ' A' ' 61' ' ' THR . 44.1 t -134.65 137.81 50.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 16.8 m -118.42 137.25 53.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.51 HG21 HD12 ' A' ' 36' ' ' LEU . 87.2 t -112.67 146.75 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.46 HD12 HD11 ' A' ' 52' ' ' ILE . 76.4 mt -115.3 120.58 40.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.473 ' HB2' ' CZ ' ' A' ' 14' ' ' PHE . . . -103.36 135.17 45.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.063 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 27.5 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.789 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.155 0 CA-C-O 120.808 0.253 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -85.9 156.83 20.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.077 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 29.7 mtp180 -119.65 133.22 55.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -145.99 115.02 6.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 86.5 m -85.43 140.57 30.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.424 HG11 HG21 ' A' ' 34' ' ' ILE . 89.1 t -124.87 108.21 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.124 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 6.4 m -83.63 112.37 19.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.088 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 16.1 mt -108.84 111.01 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.099 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 52.9 m-20 -84.35 136.58 33.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 78.5 t -102.81 124.15 56.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 81.1 p -111.58 175.73 5.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.167 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.6 -177.02 6.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.872 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.781 HG21 ' HB2' ' A' ' 26' ' ' ASN . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.15 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.849 0.27 . . . . 0.0 112.333 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -115.54 149.25 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.849 ' CE1' HD13 ' A' ' 36' ' ' LEU . 33.4 m-85 -97.56 137.01 37.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.6 ptmm? -58.6 -41.58 86.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -143.28 135.87 27.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -84.45 -98.82 0.64 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.507 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -76.29 115.88 16.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.856 0.36 . . . . 0.0 110.904 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 49.0 t -138.31 124.85 26.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.147 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -88.74 142.79 27.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.468 HG22 ' HA ' ' A' ' 108' ' ' ILE . 18.8 m -132.99 158.49 43.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.083 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.532 ' O ' ' CG ' ' A' ' 22' ' ' HIS . 6.7 p-80 -121.44 117.35 26.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.879 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.469 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 10.6 tt -139.99 135.85 16.75 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.582 0.706 . . . . 0.0 111.132 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.473 ' HB2' ' CG1' ' A' ' 113' ' ' VAL . 54.0 Cg_endo -69.72 143.02 49.69 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.646 2.231 . . . . 0.0 112.345 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -60.01 -30.63 69.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -91.0 16.29 9.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.46 143.06 28.77 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.563 0.697 . . . . 0.0 111.12 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 133.25 25.15 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.674 2.249 . . . . 0.0 112.363 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.2 t -60.72 117.21 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.135 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 117.73 16.0 6.08 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.495 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.6 m -89.84 132.75 35.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.813 0.339 . . . . 0.0 111.165 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.832 ' HA ' HG22 ' A' ' 75' ' ' THR . 79.9 p -75.23 114.52 13.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 51.2 t -85.09 -62.64 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.159 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.5 HG21 HG11 ' A' ' 106' ' ' VAL . 17.2 tt -142.68 154.28 17.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -130.7 128.9 41.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.849 HD13 ' CE1' ' A' ' 14' ' ' PHE . 73.1 mt -107.42 139.31 42.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.511 ' CD2' HG23 ' A' ' 39' ' ' THR . 3.0 t-160 -127.34 118.78 24.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -122.95 95.82 4.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.511 HG23 ' CD2' ' A' ' 37' ' ' HIS . 70.7 p . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 58.9 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.851 0.358 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.6 mmm-85 -97.86 139.04 34.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -111.2 105.11 13.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 19.9 pt -104.36 177.28 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.181 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -82.14 147.54 28.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -68.35 -167.64 4.43 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.469 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -99.86 152.51 20.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.778 0.323 . . . . 0.0 111.135 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 61.82 30.13 18.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.924 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.441 HG12 ' HE3' ' A' ' 62' ' ' LYS . 98.2 t -94.78 123.58 46.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.14 152.36 72.0 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.595 0.712 . . . . 0.0 111.085 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -50.75 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.682 2.255 . . . . 0.0 112.366 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -45.37 -34.64 3.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 97.0 m -71.66 -38.79 70.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.441 ' HE3' HG12 ' A' ' 57' ' ' VAL . 34.4 mttt -72.56 -31.21 65.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 -76.13 -64.82 1.01 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.481 HD22 ' O ' ' A' ' 79' ' ' SER . 77.6 mt -41.57 -46.23 3.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -95.54 175.23 6.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.426 ' HB2' ' HG3' ' A' ' 77' ' ' GLN . . . -139.78 112.61 8.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.071 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 50.7 tp -100.73 137.48 39.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -102.96 133.54 47.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -97.13 8.7 43.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 73.6 p -119.02 -26.72 5.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 21.0 p -122.46 -11.96 8.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.145 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 56.73 42.71 91.54 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.447 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.459 HD11 ' HB2' ' A' ' 32' ' ' SER . 11.9 tp -120.0 118.46 30.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.791 0.329 . . . . 0.0 110.934 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 73.0 mt -87.0 122.36 38.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.832 HG22 ' HA ' ' A' ' 32' ' ' SER . 39.7 p -133.28 156.28 47.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.136 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 96.4 t -59.2 134.37 24.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.426 ' HG3' ' HB2' ' A' ' 66' ' ' ALA . 4.7 tt0 -111.32 -26.98 8.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -159.88 160.72 33.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.481 ' O ' HD22 ' A' ' 64' ' ' LEU . 5.9 t -46.13 135.79 7.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.859 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.4 mt -92.66 155.42 17.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -126.96 114.44 17.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.481 ' HB3' ' CZ ' ' A' ' 82' ' ' ARG . 8.7 ttp-105 -78.98 -43.21 24.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -39.77 -44.19 1.54 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.9 tp10 -77.31 -56.57 4.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.462 ' O ' HG23 ' A' ' 85' ' ' THR . 11.8 t -139.39 124.05 18.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -91.12 -19.8 22.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.075 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 96.0 mt -124.61 116.65 48.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.456 ' NE2' HG21 ' A' ' 85' ' ' THR . 14.1 m80 -100.93 112.86 25.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.859 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 41.3 mttp -102.89 105.0 15.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 59.2 t -113.33 132.48 62.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.159 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 61.4 m -114.57 127.5 55.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.13 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 13.2 t -104.57 144.96 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.104 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 66.4 mt -111.2 143.39 42.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -120.19 109.59 15.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.153 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.3 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.758 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 N--CA 1.466 -0.147 0 CA-C-O 120.797 0.249 . . . . 0.0 112.372 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -84.4 167.11 16.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.088 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 42.0 mtt180 -126.37 127.32 45.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -136.67 118.07 14.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 63.8 m -91.34 136.61 32.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.5 HG11 HG21 ' A' ' 34' ' ' ILE . 90.3 t -130.16 101.18 5.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 21.0 m -78.17 127.34 32.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.104 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.468 ' HA ' HG22 ' A' ' 21' ' ' VAL . 25.2 mt -112.95 118.6 58.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.135 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -96.46 116.16 28.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 75.0 t -84.31 120.27 34.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 62.6 p -104.89 162.87 12.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -77.72 170.31 16.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.473 ' CG1' ' HB2' ' A' ' 24' ' ' PRO . 5.1 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.191 0 CA-C-O 120.801 0.25 . . . . 0.0 112.36 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.0 p -133.33 137.48 53.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.801 ' CD1' HD22 ' A' ' 36' ' ' LEU . 11.7 m-85 -83.08 133.12 35.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -60.87 -42.31 97.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.851 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -139.25 130.76 27.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.846 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -95.43 -80.5 1.51 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.495 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -93.56 104.02 16.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.815 0.34 . . . . 0.0 110.889 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.519 HG12 ' N ' ' A' ' 20' ' ' GLU . 98.6 t -135.31 158.95 40.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.519 ' N ' HG12 ' A' ' 19' ' ' VAL . 1.4 mp0 -117.39 139.52 50.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.1 m -131.84 146.75 32.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.097 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.2 m80 -110.23 117.01 32.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.474 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 2.8 tt -143.45 136.54 13.87 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.659 0.743 . . . . 0.0 111.138 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.474 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.8 Cg_endo -69.74 148.58 65.54 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.697 2.264 . . . . 0.0 112.344 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -68.06 -19.73 64.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.917 ' HB3' HG11 ' A' ' 113' ' ' VAL . 14.1 t30 -92.7 -2.44 56.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 26' ' ' ASN . . . -35.17 143.83 0.23 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.559 0.695 . . . . 0.0 111.077 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 128.78 16.47 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.667 2.245 . . . . 0.0 112.34 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.4 t -56.88 131.93 20.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.74 9.86 36.66 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' THR . . . . . 0.517 ' O ' HG22 ' A' ' 75' ' ' THR . 91.1 m -81.71 144.02 31.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.825 0.345 . . . . 0.0 111.132 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.613 ' HA ' HG22 ' A' ' 75' ' ' THR . 1.8 t -86.43 106.77 17.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.6 t -75.59 -68.09 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.108 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.456 HG13 ' N ' ' A' ' 35' ' ' GLN . 8.3 tp -133.54 149.75 31.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.456 ' N ' HG13 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -124.37 120.12 31.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.801 HD22 ' CD1' ' A' ' 14' ' ' PHE . 18.6 mt -102.62 116.51 32.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -113.37 105.92 13.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -109.66 147.72 32.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.101 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 19.4 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 -179.879 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.406 ' C ' ' HD3' ' A' ' 50' ' ' ARG . 70.6 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.854 0.359 . . . . 0.0 111.074 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.406 ' HD3' ' C ' ' A' ' 49' ' ' ILE . 0.4 OUTLIER -114.97 157.06 23.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -118.55 137.18 53.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.444 HD11 HD12 ' A' ' 93' ' ' LEU . 2.8 pp -143.78 150.82 16.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.146 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.565 ' CZ ' ' HG2' ' A' ' 62' ' ' LYS . 63.2 m-85 -63.8 140.56 58.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.817 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -70.45 -157.44 2.1 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.479 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -95.08 159.99 14.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.733 0.302 . . . . 0.0 111.111 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 21.7 mp0 54.9 47.94 21.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.6 t -109.97 118.6 57.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.99 144.35 48.7 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.554 0.692 . . . . 0.0 111.091 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -49.36 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.649 2.232 . . . . 0.0 112.34 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -45.27 -47.75 12.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 54.2 m -54.16 -40.13 67.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.565 ' HG2' ' CZ ' ' A' ' 53' ' ' PHE . 16.1 mtmm -69.54 -22.88 63.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -78.11 -60.22 2.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.615 ' HB3' HD23 ' A' ' 80' ' ' LEU . 1.8 mm? -51.57 -53.19 40.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.562 ' CE1' HD22 ' A' ' 80' ' ' LEU . 36.8 m-85 -98.16 156.37 16.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.436 ' HB2' ' HB2' ' A' ' 77' ' ' GLN . . . -123.67 109.16 13.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.502 ' HB3' ' CE1' ' A' ' 53' ' ' PHE . 7.9 tp -92.85 110.8 22.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.881 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -66.92 118.85 10.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -82.6 17.07 1.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 33.4 m -121.72 -28.49 4.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.091 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 61.3 p -126.44 -25.64 3.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.154 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 84.56 17.64 63.62 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.5 tp -89.45 120.51 30.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.74 0.305 . . . . 0.0 110.935 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 75.9 mt -90.04 127.54 42.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.123 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.613 HG22 ' HA ' ' A' ' 32' ' ' SER . 15.2 p -137.86 145.05 41.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.187 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 71.9 t -61.57 115.03 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.139 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.436 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 9.4 tt0 -87.38 -42.93 12.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -140.57 153.71 46.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.549 ' O ' HD12 ' A' ' 64' ' ' LEU . 53.1 p -41.89 134.58 2.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.615 HD23 ' HB3' ' A' ' 64' ' ' LEU . 9.6 mt -87.15 159.33 18.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.19 113.84 13.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 82' ' ' ARG . 11.8 ttp-105 -75.84 -40.41 54.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -39.59 -29.16 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 82' ' ' ARG . 54.5 mm-40 -85.31 -62.14 1.6 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.726 HG21 ' CE1' ' A' ' 88' ' ' HIS . 13.2 t -139.06 137.36 36.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -85.44 -29.0 24.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.517 HG21 ' HE3' ' A' ' 89' ' ' LYS . 54.9 mt -122.8 147.83 26.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.133 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.726 ' CE1' HG21 ' A' ' 85' ' ' THR . 59.2 m-70 -127.47 120.9 29.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.517 ' HE3' HG21 ' A' ' 87' ' ' ILE . 0.6 OUTLIER -102.81 116.87 33.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 15.2 t -121.92 129.22 75.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.128 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 58.9 m -108.09 130.56 55.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.113 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 46.1 t -111.55 133.87 55.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.626 HD23 ' O ' ' A' ' 102' ' ' ALA . 80.5 mt -118.49 120.41 37.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -99.04 131.7 44.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 92.9 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 -179.808 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 N--CA 1.466 -0.146 0 CA-C-O 120.806 0.253 . . . . 0.0 112.314 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.626 ' O ' HD23 ' A' ' 93' ' ' LEU . . . -82.22 154.32 25.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.089 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.431 ' HB2' ' NH1' ' A' ' 103' ' ' ARG . 25.7 mtm105 -123.68 134.19 53.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.823 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -151.0 120.12 6.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.104 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 91.9 m -101.2 121.9 42.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.101 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 92.7 t -100.95 119.96 49.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.193 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 73.7 m -88.85 117.89 28.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.148 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 17.3 mt -109.97 110.1 30.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -85.38 129.82 34.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 72.3 t -94.97 120.48 44.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 30.5 p -107.08 149.67 27.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.128 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -66.88 159.28 28.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.917 HG11 ' HB3' ' A' ' 26' ' ' ASN . 16.9 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.122 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.161 0 CA-C-O 120.85 0.271 . . . . 0.0 112.337 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 37.1 t -122.64 141.12 44.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.629 ' CZ ' ' HB2' ' A' ' 94' ' ' ALA . 39.8 m-85 -88.37 166.43 14.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -62.87 -41.22 99.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -151.48 127.23 10.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -41.84 -45.77 4.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.47 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.524 ' N ' ' CD ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -143.94 137.91 28.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.862 0.363 . . . . 0.0 110.875 -179.882 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.7 t -122.92 140.98 44.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.097 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -108.86 110.26 21.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.932 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.484 HG21 ' CG1' ' A' ' 33' ' ' VAL . 34.0 m -105.05 157.95 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -124.63 103.29 8.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.473 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 7.0 tt -124.31 136.02 27.18 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.591 0.71 . . . . 0.0 111.1 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.473 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.1 Cg_endo -69.82 154.6 67.31 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.717 2.278 . . . . 0.0 112.33 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -68.36 -34.45 76.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.572 ' HB3' HG11 ' A' ' 113' ' ' VAL . 60.0 t30 -89.76 24.86 2.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.47 142.85 93.79 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.605 0.717 . . . . 0.0 111.077 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 135.73 31.19 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.691 2.261 . . . . 0.0 112.326 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.0 t -59.63 137.17 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.144 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.56 -9.54 52.78 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.0 m -67.65 134.26 50.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.343 . . . . 0.0 111.085 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.422 ' HA ' HG22 ' A' ' 75' ' ' THR . 3.9 m -84.84 106.5 16.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.484 ' CG1' HG21 ' A' ' 21' ' ' VAL . 67.4 t -68.45 -69.53 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.11 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.635 HG21 HG11 ' A' ' 106' ' ' VAL . 7.3 tt -139.16 140.81 37.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.483 ' HB2' HD23 ' A' ' 73' ' ' LEU . 37.7 tt0 -127.08 110.4 12.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.955 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.582 HD23 ' CD1' ' A' ' 14' ' ' PHE . 5.0 mp -71.93 140.42 49.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -113.13 108.89 17.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -132.87 106.77 7.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 71.8 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 -179.875 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 12.4 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.811 0.339 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 18.4 mtt180 -101.43 143.84 30.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.458 ' N ' ' CD1' ' A' ' 51' ' ' TYR . 0.5 OUTLIER -109.51 144.55 37.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.851 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.493 HG22 ' ND2' ' A' ' 69' ' ' ASN . 29.5 pt -142.78 177.23 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.091 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -76.1 145.8 39.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -66.86 -159.84 0.92 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.454 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -103.23 151.65 22.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.754 0.312 . . . . 0.0 111.096 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 55.67 41.47 30.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 99.3 t -95.95 127.54 47.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.51 147.04 83.93 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.598 0.713 . . . . 0.0 111.094 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -40.89 4.8 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.698 2.266 . . . . 0.0 112.315 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.93 -45.91 64.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.077 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.445 HG21 HG22 ' A' ' 90' ' ' VAL . 49.3 m -59.58 -40.11 86.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.182 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -70.81 -17.1 62.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 56.6 mtt-85 -90.35 -26.48 19.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.996 HD23 ' HG2' ' A' ' 78' ' ' ARG . 33.6 mt -87.25 -37.25 17.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.454 ' CE1' HG21 ' A' ' 33' ' ' VAL . 66.2 m-85 -114.5 127.02 55.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.24 113.59 26.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.135 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.418 HD13 HG12 ' A' ' 74' ' ' ILE . 11.8 tp -103.8 142.0 35.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.95 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -98.11 149.07 22.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.914 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.493 ' ND2' HG22 ' A' ' 52' ' ' ILE . 1.3 m-20 -104.86 7.27 34.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.5 p -116.53 -26.72 6.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 16.9 p -117.32 -23.14 7.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.164 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 73.0 35.11 58.11 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.967 HD11 HG23 ' A' ' 75' ' ' THR . 0.3 OUTLIER -108.86 144.72 36.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.773 0.32 . . . . 0.0 110.924 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.936 ' H ' HD22 ' A' ' 73' ' ' LEU . 68.5 mt -115.3 110.13 30.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.151 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.967 HG23 HD11 ' A' ' 73' ' ' LEU . 3.0 p -104.56 -178.9 3.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 84.5 t -94.06 104.5 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.49 ' N ' ' O ' ' A' ' 64' ' ' LEU . 23.4 tt0 -65.01 -43.47 92.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.927 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.996 ' HG2' HD23 ' A' ' 64' ' ' LEU . 6.3 ptt180 -156.22 168.83 26.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.7 t -51.74 138.4 23.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.514 HD23 HD22 ' A' ' 64' ' ' LEU . 7.5 mt -101.06 130.82 47.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -99.11 124.67 44.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.9 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 39.6 ttp85 -82.27 -24.07 34.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -64.05 -11.69 31.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -117.53 -54.04 2.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.63 ' O ' HG23 ' A' ' 85' ' ' THR . 7.4 t -131.49 92.04 3.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.167 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.46 -28.82 69.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.171 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 44.9 mt -131.58 143.7 39.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.114 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.472 ' NE2' HG21 ' A' ' 85' ' ' THR . 24.1 m-70 -117.38 140.18 49.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -124.04 105.0 9.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.445 HG22 HG21 ' A' ' 61' ' ' THR . 44.9 t -118.17 119.25 60.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 26.1 m -94.69 118.45 31.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 94.6 t -99.48 136.16 31.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 34.1 mt -115.14 130.98 57.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.629 ' HB2' ' CZ ' ' A' ' 14' ' ' PHE . . . -113.32 108.65 17.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.121 179.785 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.0 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.809 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.784 0.243 . . . . 0.0 112.344 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -87.97 172.73 9.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 36.8 mtm-85 -123.5 117.84 26.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -119.85 122.05 40.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.054 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 86.3 m -100.24 115.61 30.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.161 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.635 HG11 HG21 ' A' ' 34' ' ' ILE . 71.4 t -102.31 117.2 47.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 61.3 m -98.5 106.41 18.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.172 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 48.1 mt -102.2 107.43 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.106 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -89.57 134.16 34.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 70.5 t -97.06 104.63 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.064 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 21.0 p -94.3 159.91 14.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.082 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -65.24 168.42 6.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.572 HG11 ' HB3' ' A' ' 26' ' ' ASN . 11.5 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.15 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.465 -0.151 0 CA-C-O 120.824 0.26 . . . . 0.0 112.355 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.4 m -72.97 139.72 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.715 ' CD1' HD12 ' A' ' 36' ' ' LEU . 29.9 m-85 -95.51 150.29 20.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.9 tppt? -40.56 -56.88 1.98 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -143.06 169.58 17.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.4 ' C ' ' OE1' ' A' ' 18' ' ' GLN . . . -76.78 -73.11 1.05 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.4 ' OE1' ' C ' ' A' ' 17' ' ' GLY . 4.1 mp0 -120.03 126.34 50.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.82 0.343 . . . . 0.0 110.876 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 41.6 t -128.02 113.71 31.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -86.49 133.04 33.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 18.8 m -127.39 154.74 38.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.129 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.536 ' O ' ' CG ' ' A' ' 22' ' ' HIS . 20.5 p-80 -119.65 115.55 24.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.467 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 1.8 tt -133.5 137.28 28.61 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.588 0.709 . . . . 0.0 111.141 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.467 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.6 Cg_endo -69.81 150.88 68.49 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.681 2.254 . . . . 0.0 112.349 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -64.26 -39.53 94.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.534 ' HB3' HG11 ' A' ' 113' ' ' VAL . 43.6 t30 -85.51 20.92 1.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.56 142.69 15.24 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.601 0.715 . . . . 0.0 111.138 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.73 135.8 31.45 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.675 2.25 . . . . 0.0 112.336 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.436 HG13 ' O ' ' A' ' 76' ' ' VAL . 72.1 t -60.42 122.54 11.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.158 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.32 16.02 9.97 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.458 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.4 m -90.8 112.6 24.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.82 0.343 . . . . 0.0 111.114 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.626 ' HA ' HG22 ' A' ' 75' ' ' THR . 73.2 m -65.55 107.95 1.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 54.8 t -77.91 -60.02 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 tp -141.27 143.7 27.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -124.41 100.58 6.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.715 HD12 ' CD1' ' A' ' 14' ' ' PHE . 3.5 mm? -71.06 112.95 7.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.867 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -111.2 106.02 14.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -114.32 98.51 6.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.8 p . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 -179.886 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.501 HG21 ' HB1' ' A' ' 94' ' ' ALA . 55.7 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.877 0.37 . . . . 0.0 111.101 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -98.94 141.15 32.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -116.59 130.01 56.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.954 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 12.5 pt -130.61 168.54 23.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.135 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.497 ' CZ ' ' HB3' ' A' ' 67' ' ' LEU . 50.0 m-85 -78.73 140.4 38.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -64.35 -170.72 2.17 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.46 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.72 157.13 16.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.767 0.318 . . . . 0.0 111.121 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 63.8 33.7 12.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.2 t -103.67 115.5 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.123 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.489 ' HB1' ' HD2' ' A' ' 59' ' ' PRO . . . -51.9 157.35 2.1 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.599 0.714 . . . . 0.0 111.141 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.489 ' HD2' ' HB1' ' A' ' 58' ' ' ALA . 53.8 Cg_endo -69.75 -44.38 2.12 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.696 2.264 . . . . 0.0 112.345 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 63' ' ' ARG . . . -48.03 -66.23 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.089 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 94.8 m -41.07 -25.29 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.161 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 60' ' ' ALA . 5.5 mtmp? -92.82 -33.63 14.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' A' ' 60' ' ' ALA . 17.6 ptt85 -69.95 -30.71 68.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.517 HD13 HD23 ' A' ' 80' ' ' LEU . 89.7 mt -83.7 -50.88 7.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.946 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -99.99 134.08 43.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -107.89 128.98 55.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.06 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.497 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 7.9 tp -112.53 136.81 51.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 24.3 m-20 -96.05 129.48 43.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -85.83 3.19 42.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 32.3 p -113.77 -28.43 7.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 41.8 p -117.64 -20.44 8.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.104 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 63.68 52.06 48.89 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.462 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 21.1 tp -126.45 141.73 51.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.75 0.31 . . . . 0.0 110.91 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 95.6 mt -113.7 121.26 65.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.626 HG22 ' HA ' ' A' ' 32' ' ' SER . 34.4 p -126.24 169.23 13.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.188 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.436 ' O ' HG13 ' A' ' 29' ' ' VAL . 88.8 t -80.46 107.74 13.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -78.76 -40.15 34.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 65.8 mtp180 -146.39 171.03 15.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.462 ' O ' HD22 ' A' ' 64' ' ' LEU . 3.4 t -57.58 156.32 8.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.517 HD23 HD13 ' A' ' 64' ' ' LEU . 6.7 mt -116.0 155.62 27.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.939 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -134.11 134.07 41.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 16.3 mtp180 -83.81 -34.56 24.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -47.4 -24.35 0.78 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -101.2 -58.84 1.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.461 HG21 ' NE2' ' A' ' 88' ' ' HIS . 11.5 t -136.12 126.28 26.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.123 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -91.57 -34.68 14.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 31.9 mt -117.07 136.32 54.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.095 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.461 ' NE2' HG21 ' A' ' 85' ' ' THR . 24.9 m80 -112.62 123.52 50.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -112.16 107.71 16.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 22.3 t -117.02 131.31 70.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 19.6 m -114.16 121.19 43.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 85.6 t -99.81 133.34 43.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 10.8 mt -114.17 138.38 50.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.501 ' HB1' HG21 ' A' ' 49' ' ' ILE . . . -129.99 125.3 35.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.085 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.6 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 -179.801 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.465 -0.161 0 CA-C-O 120.799 0.249 . . . . 0.0 112.359 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -94.05 138.98 31.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -114.66 137.3 52.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -132.67 115.66 15.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 17.0 m -90.04 125.39 35.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.153 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 98.5 t -119.91 101.02 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.173 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 87.9 m -72.25 130.69 41.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 30.5 mt -125.67 106.72 16.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.102 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -88.6 124.92 34.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 47.6 t -91.25 122.6 42.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.126 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 28.3 p -109.73 163.37 13.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -70.45 -177.25 1.42 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.534 HG11 ' HB3' ' A' ' 26' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.172 0 CA-C-O 120.827 0.261 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 45.8 t -134.15 116.61 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -65.56 157.8 28.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.889 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.404 ' C ' ' HG2' ' A' ' 16' ' ' GLU . 12.8 tptm -43.88 -55.53 4.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.404 ' HG2' ' C ' ' A' ' 15' ' ' LYS . 48.8 mm-40 -149.13 143.12 25.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -49.42 -94.8 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.514 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -87.37 126.61 34.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 43.4 t -136.4 125.01 36.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.122 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -96.41 138.09 34.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.1 m -124.32 165.47 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.098 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 11.4 m80 -122.66 131.29 53.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.865 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.531 HD12 HG22 ' A' ' 33' ' ' VAL . 11.4 tt -151.84 136.0 9.94 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.658 0.742 . . . . 0.0 111.147 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.674 ' HB2' HG23 ' A' ' 113' ' ' VAL . 54.0 Cg_endo -69.74 154.17 68.14 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.658 2.239 . . . . 0.0 112.345 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -69.61 -36.26 76.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.572 ' HB2' HG21 ' A' ' 113' ' ' VAL . 26.9 m120 -97.39 46.05 1.03 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.403 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -74.98 143.77 78.29 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.587 0.708 . . . . 0.0 111.083 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 130.72 19.8 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.657 2.238 . . . . 0.0 112.31 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.0 t -53.36 111.2 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 122.81 12.59 4.9 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.4 m -85.62 136.14 33.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.824 0.345 . . . . 0.0 111.125 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.462 ' HA ' HG22 ' A' ' 75' ' ' THR . 64.8 p -75.9 107.07 7.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.531 HG22 HD12 ' A' ' 23' ' ' ILE . 61.6 t -74.97 -62.34 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.141 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.544 HD13 ' N ' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -145.1 146.21 20.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.544 ' N ' HD13 ' A' ' 34' ' ' ILE . 5.9 tp60 -129.01 118.79 23.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.429 ' HG ' HD11 ' A' ' 34' ' ' ILE . 16.9 mt -97.24 117.76 32.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -92.58 105.31 17.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -125.23 89.41 3.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.131 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 36.5 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 -179.892 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.575 HG21 ' HB1' ' A' ' 94' ' ' ALA . 29.0 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.74 0.305 . . . . 0.0 111.164 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -83.8 115.51 22.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -89.39 111.21 22.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 28.2 pt -106.84 156.42 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.113 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -69.32 142.48 54.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -58.2 -164.4 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.487 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.54 158.1 16.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.754 0.311 . . . . 0.0 111.101 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 52.14 53.17 12.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.945 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.8 t -114.54 129.17 71.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.51 150.74 33.01 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.541 0.686 . . . . 0.0 111.114 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -43.49 2.6 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.702 2.268 . . . . 0.0 112.344 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -48.34 -44.24 34.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.063 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.443 HG21 HG22 ' A' ' 90' ' ' VAL . 49.3 m -58.23 -40.07 80.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.167 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.39 -40.08 81.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.1 mtp85 -69.36 -63.87 0.98 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.85 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.5 mt -51.94 -49.08 63.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.544 ' CZ ' HD22 ' A' ' 80' ' ' LEU . 84.6 m-85 -104.07 123.29 46.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -98.8 127.9 44.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.114 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 24.7 tp -110.36 123.79 50.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -87.93 144.29 26.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -101.54 -6.87 23.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 74.0 p -105.12 -25.16 12.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.194 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 73.8 p -116.23 -22.39 8.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 63.1 37.26 94.63 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.499 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.458 HD12 ' O ' ' A' ' 34' ' ' ILE . 30.3 tp -119.9 130.31 54.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.792 0.329 . . . . 0.0 110.919 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 87.4 mt -96.41 123.52 48.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.462 HG22 ' HA ' ' A' ' 32' ' ' SER . 65.5 p -126.23 165.72 18.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.143 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 51.6 t -81.58 110.46 16.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -81.81 -34.13 30.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 64.4 mtp180 -143.72 160.85 39.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.9 t -51.29 141.98 13.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.544 HD22 ' CZ ' ' A' ' 65' ' ' PHE . 10.8 mt -94.65 152.88 18.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.939 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -129.22 124.56 34.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 -81.81 -39.97 23.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -41.92 -44.26 3.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -76.44 -62.59 1.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.599 HG21 ' CE1' ' A' ' 88' ' ' HIS . 5.3 t -139.97 138.1 35.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.752 ' O ' HG23 ' A' ' 110' ' ' VAL . . . -95.71 -41.79 8.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.11 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 6.9 mm -105.62 141.02 21.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.599 ' CE1' HG21 ' A' ' 85' ' ' THR . 52.8 m-70 -125.11 115.31 20.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.501 ' HD2' HG23 ' A' ' 107' ' ' THR . 0.0 OUTLIER -100.15 109.93 22.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.897 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.443 HG22 HG21 ' A' ' 61' ' ' THR . 87.3 t -115.76 123.66 71.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 17.2 m -100.63 128.78 46.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 60.6 t -108.4 138.19 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.129 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 18.0 mt -119.61 116.41 25.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.575 ' HB1' HG21 ' A' ' 49' ' ' ILE . . . -103.17 126.21 50.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.8 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 -179.746 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 N--CA 1.465 -0.171 0 CA-C-O 120.724 0.218 . . . . 0.0 112.413 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.39 175.05 4.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.127 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 79.3 mtm-85 -137.66 135.58 36.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -147.52 119.43 8.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 78.2 m -91.75 117.55 29.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 73.5 t -101.04 114.35 39.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' THR . . . . . 0.501 HG23 ' HD2' ' A' ' 89' ' ' LYS . 3.5 m -90.17 119.73 30.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 23.5 mt -107.91 110.04 30.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -95.15 117.62 30.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 86' ' ' ALA . 20.3 t -85.33 127.78 39.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 3.6 p -124.96 174.51 7.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.114 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -51.66 153.0 2.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.674 HG23 ' HB2' ' A' ' 24' ' ' PRO . 5.9 p . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.847 0.27 . . . . 0.0 112.287 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.4 p -129.15 133.14 66.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.543 ' CD1' HD22 ' A' ' 36' ' ' LEU . 8.7 m-85 -78.77 153.11 31.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.2 tttp -41.28 -50.72 3.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.964 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -146.9 160.46 42.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.01 -61.29 5.0 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.511 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -105.86 143.36 34.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.87 0.367 . . . . 0.0 110.87 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 84.1 t -132.97 135.39 57.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -122.97 133.78 54.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.2 m -134.72 150.09 30.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.44 ' O ' ' CG ' ' A' ' 22' ' ' HIS . 1.5 p80 -114.71 124.68 52.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.0 tt -148.53 132.22 8.43 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.666 0.746 . . . . 0.0 111.084 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.471 ' HB2' ' CG1' ' A' ' 113' ' ' VAL . 54.0 Cg_endo -69.69 154.84 67.53 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -69.32 -38.31 78.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.715 ' HB2' HG21 ' A' ' 113' ' ' VAL . 16.5 m-20 -85.42 29.81 0.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.6 143.72 95.46 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.554 0.692 . . . . 0.0 111.121 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 142.87 49.12 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.683 2.256 . . . . 0.0 112.316 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.5 t -63.55 131.26 29.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.075 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.45 15.8 31.26 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.446 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.1 m -82.86 126.91 32.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.814 0.34 . . . . 0.0 111.15 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.724 ' HA ' HG22 ' A' ' 75' ' ' THR . 7.6 p -70.43 109.18 4.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.8 t -79.99 -72.6 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.137 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.619 ' O ' HD12 ' A' ' 73' ' ' LEU . 10.5 tp -142.62 146.78 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.148 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.591 ' HB2' HD13 ' A' ' 73' ' ' LEU . 24.1 tt0 -123.48 103.74 8.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.543 HD22 ' CD1' ' A' ' 14' ' ' PHE . 13.6 mt -72.17 145.28 48.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -139.21 116.01 10.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.826 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -118.98 126.97 52.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.0 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.187 -179.901 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.774 HG23 ' O ' ' A' ' 95' ' ' SER . 67.3 mt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.807 0.337 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.484 ' CD ' ' O ' ' A' ' 69' ' ' ASN . 0.0 OUTLIER -78.27 162.55 26.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -136.8 110.5 8.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 22.8 pt -112.7 169.75 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.095 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.54 ' CZ ' ' HG2' ' A' ' 62' ' ' LYS . 31.4 m-85 -74.26 135.1 42.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -64.25 -152.05 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.499 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -105.58 158.89 16.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.697 0.284 . . . . 0.0 111.137 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 56.59 47.87 17.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 96.2 t -107.89 121.72 61.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.078 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.82 152.07 50.49 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.562 0.696 . . . . 0.0 111.124 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -40.9 4.74 Favored 'Trans proline' 0 N--CA 1.466 -0.14 0 C-N-CA 122.72 2.28 . . . . 0.0 112.321 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.26 -57.47 12.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.081 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.538 HG21 HG22 ' A' ' 90' ' ' VAL . 85.5 m -48.11 -35.08 10.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.082 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.54 ' HG2' ' CZ ' ' A' ' 53' ' ' PHE . 35.3 mtmt -73.21 -27.21 61.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.908 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 26.4 mtt180 -84.79 -54.42 4.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 16.7 mt -57.44 -46.32 83.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -107.7 126.42 52.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -96.83 136.26 37.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.3 tp -113.35 141.62 46.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -103.08 123.25 46.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.484 ' O ' ' CD ' ' A' ' 50' ' ' ARG . 0.7 OUTLIER -84.95 5.11 30.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 73.1 p -116.84 -26.24 7.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 46.4 p -120.92 -15.92 8.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.107 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 62.19 38.29 95.92 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.619 HD12 ' O ' ' A' ' 34' ' ' ILE . 33.6 tp -111.96 149.06 32.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.805 0.336 . . . . 0.0 110.908 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 66.9 mt -121.47 122.12 66.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' THR . . . . . 0.724 HG22 ' HA ' ' A' ' 32' ' ' SER . 34.8 p -128.85 162.03 28.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 91.1 t -71.35 131.09 34.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.146 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -107.34 -35.76 6.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 79' ' ' SER . 47.4 mtp180 -147.63 152.24 37.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 78' ' ' ARG . 20.2 p -37.82 148.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.4 mt -105.84 152.88 22.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.935 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -121.14 118.27 29.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.9 tmm_? -79.75 -46.74 16.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.832 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -41.27 -49.39 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -65.5 -59.87 3.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.527 HG21 ' NE2' ' A' ' 88' ' ' HIS . 8.9 t -133.46 144.59 49.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.139 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -104.95 -24.2 12.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.048 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 69.6 mt -134.53 134.22 54.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.139 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.527 ' NE2' HG21 ' A' ' 85' ' ' THR . 23.0 m-70 -113.36 113.96 25.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? -102.83 107.79 18.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.538 HG22 HG21 ' A' ' 61' ' ' THR . 15.2 t -114.17 142.28 27.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.138 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 52.1 m -121.27 121.26 37.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 42.2 t -108.12 140.24 27.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.152 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 55.4 mt -105.29 140.06 38.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.424 ' HB2' ' CZ ' ' A' ' 14' ' ' PHE . . . -118.77 136.36 54.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.774 ' O ' HG23 ' A' ' 49' ' ' ILE . 32.2 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.823 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 N--CA 1.466 -0.138 0 CA-C-O 120.833 0.264 . . . . 0.0 112.347 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -96.33 128.93 43.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.111 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 3.6 ptp85 -107.69 150.2 27.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -146.27 119.75 9.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.094 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 28.3 m -83.46 117.29 22.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.097 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 90.9 t -106.08 142.98 17.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.128 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 61.2 m -117.87 130.0 55.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.194 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 28.6 mt -117.44 117.27 54.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.161 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -90.91 133.95 34.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 79.3 t -102.25 99.98 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.177 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 68.1 p -85.24 160.85 19.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -76.87 170.24 16.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.715 HG21 ' HB2' ' A' ' 26' ' ' ASN . 32.8 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.175 0 CA-C-O 120.774 0.239 . . . . 0.0 112.315 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.4 m -103.13 168.26 2.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.136 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.672 ' CE1' ' HB2' ' A' ' 104' ' ' ALA . 96.1 m-85 -97.99 151.2 20.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -61.16 -38.95 88.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.454 ' HG3' ' CG2' ' A' ' 19' ' ' VAL . 6.2 pt-20 -127.16 -27.67 2.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.86 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 78.6 -63.44 3.72 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.475 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -103.42 138.71 39.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.861 0.362 . . . . 0.0 110.886 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.454 ' CG2' ' HG3' ' A' ' 16' ' ' GLU . 17.9 t -151.64 135.32 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -109.95 115.04 29.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.0 m -112.22 163.44 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.13 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 24.9 p-80 -134.4 108.29 8.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.826 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.471 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 2.3 tt -126.23 137.13 29.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.593 0.711 . . . . 0.0 111.117 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.471 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.7 Cg_endo -69.8 170.48 16.53 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.672 2.248 . . . . 0.0 112.377 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -84.74 -28.6 26.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.432 ' HB3' HG11 ' A' ' 113' ' ' VAL . 64.8 t30 -79.66 -10.35 59.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -37.13 139.12 0.52 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.572 0.701 . . . . 0.0 111.078 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 141.66 45.67 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.684 2.256 . . . . 0.0 112.306 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.478 HG13 ' O ' ' A' ' 76' ' ' VAL . 25.1 t -64.53 121.11 12.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.185 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.97 11.03 14.66 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.478 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.6 m -82.21 142.38 32.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.774 0.321 . . . . 0.0 111.174 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 52.4 p -81.81 115.41 21.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.828 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 18.2 t -85.53 -62.11 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.171 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.47 HG21 HG11 ' A' ' 106' ' ' VAL . 19.0 tt -142.75 154.13 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.162 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -132.14 106.21 7.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 14.7 mt -93.55 134.44 35.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -113.58 134.96 54.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.63 ' O ' HD12 ' A' ' 49' ' ' ILE . . . -126.3 95.2 4.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.2 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.151 -179.895 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.63 HD12 ' O ' ' A' ' 38' ' ' ALA . 26.3 mt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.835 0.35 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.476 ' HD2' ' N ' ' A' ' 50' ' ' ARG . 0.3 OUTLIER -90.25 118.82 30.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.88 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.495 ' CE1' ' C ' ' A' ' 71' ' ' THR . 23.4 m-85 -88.21 153.29 21.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.402 ' N ' HD13 ' A' ' 52' ' ' ILE . 0.1 OUTLIER -145.21 175.0 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -83.35 146.31 28.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -54.79 -168.34 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.475 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -94.59 136.61 34.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.748 0.309 . . . . 0.0 111.073 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 56.73 51.16 11.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.44 HG12 ' HD2' ' A' ' 62' ' ' LYS . 92.0 t -96.93 128.37 48.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.471 ' O ' ' CD ' ' A' ' 62' ' ' LYS . . . -51.35 145.52 13.93 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.526 0.679 . . . . 0.0 111.086 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.412 ' HA ' ' HD3' ' A' ' 62' ' ' LYS . 53.3 Cg_endo -69.79 -49.06 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.675 2.25 . . . . 0.0 112.355 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 63' ' ' ARG . . . -51.56 -66.83 0.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 70.5 m -39.31 -31.87 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.144 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.471 ' CD ' ' O ' ' A' ' 58' ' ' ALA . 12.9 mtpt -80.64 -38.32 29.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 60' ' ' ALA . 22.5 mmm180 -58.17 -43.7 87.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.839 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.409 ' HB3' HD23 ' A' ' 80' ' ' LEU . 21.3 mt -69.48 -51.14 38.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -103.33 120.92 41.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.16 145.53 24.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.106 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 28.3 tp -121.02 119.36 32.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.947 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -73.3 130.84 41.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -94.05 13.07 24.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.6 p -118.79 -28.99 5.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.151 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.495 ' C ' ' CE1' ' A' ' 51' ' ' TYR . 44.9 p -127.88 -29.33 2.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 90.38 14.36 58.77 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.511 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.6 tp -81.96 145.41 30.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.772 0.32 . . . . 0.0 110.891 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 65.7 mt -113.46 133.27 59.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 16.7 p -132.41 170.93 14.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.15 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.478 ' O ' HG13 ' A' ' 29' ' ' VAL . 97.9 t -86.17 101.79 10.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -72.06 -44.04 63.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 36.6 mtp85 -149.16 152.5 36.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.4 t -39.05 149.54 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.409 HD23 ' HB3' ' A' ' 64' ' ' LEU . 10.7 mt -98.96 156.23 17.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -114.68 115.09 26.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -88.31 -35.8 17.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -52.16 -46.05 65.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.62 -70.52 0.49 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.638 HG21 ' CE1' ' A' ' 88' ' ' HIS . 4.9 t -112.08 139.97 47.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.148 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.629 ' O ' HG23 ' A' ' 110' ' ' VAL . . . -102.37 -37.96 7.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 36.6 mt -116.36 139.19 44.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.09 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.638 ' CE1' HG21 ' A' ' 85' ' ' THR . 51.4 m-70 -119.55 111.04 17.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.816 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 27.2 mttp -103.66 111.35 23.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 65.7 t -123.62 132.98 70.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 16.7 m -99.75 142.63 30.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 69.9 t -117.34 151.31 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 77.7 mt -131.3 120.71 23.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -99.12 110.32 22.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.747 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.23 0.108 0 CA-C-O 120.859 0.274 . . . . 0.0 112.337 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -95.21 153.16 17.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.092 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -102.82 139.82 37.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.672 ' HB2' ' CE1' ' A' ' 14' ' ' PHE . . . -137.22 118.4 14.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.084 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 89.7 m -93.99 108.27 20.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.47 HG11 HG21 ' A' ' 34' ' ' ILE . 84.5 t -103.88 110.07 29.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.111 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 8.1 m -91.22 134.22 34.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 18.0 mt -129.07 102.46 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -85.39 151.93 23.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 86' ' ' ALA . 34.6 t -111.34 130.23 65.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.118 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 11.3 p -114.57 172.39 7.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -90.22 153.56 20.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.432 HG11 ' HB3' ' A' ' 26' ' ' ASN . 2.9 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.861 0.275 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.7 p -160.33 143.47 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.534 ' CE1' ' HB3' ' A' ' 36' ' ' LEU . 6.3 m-85 -91.13 165.79 13.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -63.19 -54.2 41.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.406 ' HB2' ' CG2' ' A' ' 19' ' ' VAL . 21.5 mt-10 -145.5 113.73 6.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -39.37 -53.5 2.78 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.485 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.7 mp0 -119.1 129.81 55.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.875 0.369 . . . . 0.0 110.895 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.406 ' CG2' ' HB2' ' A' ' 16' ' ' GLU . 47.2 t -136.82 125.54 35.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.44 ' OE2' ' ND2' ' A' ' 109' ' ' ASN . 30.9 tt0 -94.71 152.64 18.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.7 m -151.57 165.81 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.486 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 6.3 p-80 -126.53 122.13 34.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.477 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 6.7 tt -145.72 136.2 12.14 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.575 0.702 . . . . 0.0 111.173 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PRO . . . . . 0.477 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.7 Cg_endo -69.75 161.45 45.87 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.743 2.295 . . . . 0.0 112.301 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -71.51 -36.39 71.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -90.54 21.0 4.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.5 142.33 22.05 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.627 0.727 . . . . 0.0 111.088 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 129.34 17.47 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.692 2.262 . . . . 0.0 112.329 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.0 t -56.84 137.14 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.172 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.44 -2.49 50.03 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.526 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 85.6 m -73.83 134.68 43.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.806 0.336 . . . . 0.0 111.122 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 81.1 p -76.68 111.91 12.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 41.5 t -84.96 -65.32 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.41 ' CG2' HD12 ' A' ' 74' ' ' ILE . 2.9 tp -138.91 137.35 42.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.099 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -118.32 111.16 18.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.534 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . 4.6 mt -97.95 127.4 43.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -121.57 109.29 14.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.464 ' HB2' ' CD1' ' A' ' 14' ' ' PHE . . . -131.46 110.1 10.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.063 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 38.0 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 -179.9 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 28.1 mm . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.858 0.361 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 37.1 mmm-85 -112.64 117.31 31.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.446 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 48.0 m-85 -86.0 135.53 33.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.499 ' C ' HD12 ' A' ' 52' ' ' ILE . 2.6 pp -137.33 162.9 32.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.483 ' CD2' ' HE2' ' A' ' 62' ' ' LYS . 28.6 m-85 -74.28 119.4 18.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLY . . . . . 0.475 ' HA2' HD12 ' A' ' 93' ' ' LEU . . . -55.78 -175.31 0.18 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.455 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -83.41 153.27 24.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.762 0.315 . . . . 0.0 111.081 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 61.85 53.89 3.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.6 t -121.71 119.64 59.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.107 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.83 150.27 91.51 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.571 0.701 . . . . 0.0 111.066 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -50.72 0.44 Allowed 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.676 2.251 . . . . 0.0 112.363 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -41.07 -51.26 3.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.7 HG21 HG22 ' A' ' 90' ' ' VAL . 89.1 m -54.08 -36.68 63.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.483 ' HE2' ' CD2' ' A' ' 53' ' ' PHE . 1.9 mtpm? -72.6 -43.27 63.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.7 tpt85 -53.83 -41.18 67.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.791 HD23 ' HB2' ' A' ' 78' ' ' ARG . 14.9 mt -83.14 -49.47 9.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -94.37 124.01 38.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -102.77 122.39 44.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.083 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 21.4 tp -96.55 138.92 33.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -102.1 134.22 45.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 51' ' ' TYR . 0.8 OUTLIER -95.79 5.4 51.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 66.5 p -118.35 -28.54 5.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 43.8 p -121.98 -19.11 6.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.159 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 59.53 36.73 90.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.491 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.1 tp -112.93 121.85 45.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.789 0.328 . . . . 0.0 110.95 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.41 HD12 ' CG2' ' A' ' 34' ' ' ILE . 97.4 mt -85.66 123.13 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 32.6 p -126.78 152.44 46.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 59.9 t -65.19 124.0 19.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.144 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -108.46 -26.04 10.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.791 ' HB2' HD23 ' A' ' 64' ' ' LEU . 10.7 mmm180 -143.96 161.28 39.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.6 m -64.66 120.33 12.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.2 mt -74.62 143.8 44.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -120.43 126.62 50.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.864 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 39.7 ttp85 -82.9 -43.8 16.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -41.08 -38.16 0.98 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -85.79 -64.92 1.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.591 HG21 ' CE1' ' A' ' 88' ' ' HIS . 4.8 t -126.83 122.43 34.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.169 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.99 -20.23 26.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 47.4 mt -134.62 137.27 51.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.112 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' HIS . . . . . 0.591 ' CE1' HG21 ' A' ' 85' ' ' THR . 32.9 m-70 -116.01 117.09 29.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -106.45 108.19 19.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.7 HG22 HG21 ' A' ' 61' ' ' THR . 93.0 t -119.01 144.56 26.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 32.6 m -122.68 113.62 19.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.098 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 98.3 t -98.13 140.4 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.101 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.475 HD12 ' HA2' ' A' ' 54' ' ' GLY . 76.2 mt -113.99 136.2 53.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -125.95 120.2 29.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.066 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 47.6 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.869 -179.81 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 N--CA 1.466 -0.143 0 CA-C-O 120.821 0.259 . . . . 0.0 112.33 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -98.21 119.23 36.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 103' ' ' ARG . 4.7 ptp180 -100.08 137.08 39.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -139.64 118.55 12.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.09 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 53.2 m -90.63 110.95 22.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.421 HG12 HG13 ' A' ' 108' ' ' ILE . 94.4 t -96.17 107.11 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.097 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.8 m -80.73 102.6 10.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.128 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.421 HG13 HG12 ' A' ' 106' ' ' VAL . 18.0 mt -99.57 112.99 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.114 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ASN . . . . . 0.44 ' ND2' ' OE2' ' A' ' 20' ' ' GLU . 66.4 m-20 -85.72 152.77 22.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 47.0 t -121.69 117.86 53.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.136 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 67.1 p -106.79 175.54 5.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -93.07 163.81 13.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.44 ' CG1' ' HB2' ' A' ' 24' ' ' PRO . 6.8 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.172 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.8 t -99.45 -61.97 1.3 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.861 0.362 . . . . 0.0 110.883 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.8 p -91.78 150.01 21.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.07 -88.63 2.05 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.3 p -142.72 163.68 32.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.914 0.387 . . . . 0.0 110.846 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.1 m -107.26 -52.01 2.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.26 132.87 4.39 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.475 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 20.4 p30 -159.32 174.06 15.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.841 0.353 . . . . 0.0 110.914 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.436 ' C ' ' OD1' ' A' ' 9' ' ' ASP . 0.6 OUTLIER -82.57 154.04 25.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -160.42 136.29 8.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.4 ' HD3' ' N ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -133.17 149.98 74.14 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.623 0.725 . . . . 0.0 110.86 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 173.38 11.06 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.723 2.282 . . . . 0.0 112.331 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.2 p -138.35 134.53 43.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -76.56 152.61 35.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.0 tttp -57.34 -51.55 68.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -145.79 130.09 17.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -45.53 -63.69 2.65 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.478 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.03 142.74 51.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.814 0.34 . . . . 0.0 110.944 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.8 t -142.25 141.43 28.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -102.83 134.08 46.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.562 HG23 HG23 ' A' ' 108' ' ' ILE . 35.5 m -127.0 155.06 37.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.156 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.431 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 39.4 p-80 -125.98 105.8 9.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.458 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 0.8 OUTLIER -129.72 138.3 32.82 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.626 0.727 . . . . 0.0 111.127 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.458 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.6 Cg_endo -69.74 140.72 43.44 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.729 2.286 . . . . 0.0 112.34 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.426 ' C ' ' OE1' ' A' ' 25' ' ' GLU . 1.6 pp20? -57.74 -37.52 73.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.521 ' HB2' HG21 ' A' ' 113' ' ' VAL . 46.3 t30 -77.79 -3.11 39.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 26' ' ' ASN . . . -34.41 143.29 0.21 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.603 0.716 . . . . 0.0 111.098 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 143.09 49.41 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.689 2.259 . . . . 0.0 112.301 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.7 t -66.94 128.41 30.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 109.37 6.0 29.64 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.521 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.7 m -79.48 141.12 37.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.789 0.328 . . . . 0.0 111.162 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.806 ' HA ' HG22 ' A' ' 75' ' ' THR . 77.6 p -90.15 105.48 17.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.9 t -69.83 -68.23 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.575 HG21 HG11 ' A' ' 106' ' ' VAL . 11.8 tt -142.35 145.14 23.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.7 tp60 -122.73 124.36 43.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.934 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.0 mt -100.06 115.28 29.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -104.02 104.99 15.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -134.62 90.27 2.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.108 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.5 p -101.71 140.05 36.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.121 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 41' ' ' ALA . 1.0 OUTLIER -62.25 177.38 0.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.87 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 42' ' ' ASP . . . -34.85 116.93 0.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 41' ' ' ALA . 13.3 m-20 -34.97 -56.18 0.57 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.613 ' O ' HG23 ' A' ' 43' ' ' ILE . 8.6 tt -69.05 110.22 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 84.09 112.62 0.61 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.474 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 73.1 m -129.8 51.88 2.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.861 0.363 . . . . 0.0 110.862 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 63.3 m-20 -91.9 60.04 3.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -150.57 170.74 18.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.068 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -128.38 106.92 9.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.435 ' C ' ' HD2' ' A' ' 50' ' ' ARG . 93.2 mt -86.63 116.78 29.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.135 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.455 ' N ' ' HD2' ' A' ' 50' ' ' ARG . 0.3 OUTLIER -106.26 135.0 48.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.861 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.524 ' CE2' ' C ' ' A' ' 71' ' ' THR . 49.0 m-85 -107.04 108.85 20.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 15.7 pt -104.67 174.44 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.104 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -82.36 136.16 35.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -60.14 -160.56 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.508 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.63 150.12 21.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.751 0.31 . . . . 0.0 111.097 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 60.17 46.94 9.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.936 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 79.7 t -107.77 118.37 55.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.09 148.72 60.04 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.634 0.73 . . . . 0.0 111.068 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -40.28 5.49 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.685 2.257 . . . . 0.0 112.375 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.91 -43.31 59.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.113 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.45 HG21 HG22 ' A' ' 90' ' ' VAL . 56.9 m -61.44 -35.7 78.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.167 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -65.18 -36.46 84.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -80.02 -48.93 12.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 67.4 mt -56.83 -41.05 77.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -117.91 131.55 56.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.16 114.61 26.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.096 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.5 tp -103.29 115.16 30.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -71.35 119.29 15.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.441 ' N ' ' OD1' ' A' ' 69' ' ' ASN . 0.7 OUTLIER -84.58 18.33 2.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.929 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.52 -26.07 3.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.116 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.524 ' C ' ' CE2' ' A' ' 51' ' ' TYR . 18.3 p -125.58 -23.91 3.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.133 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.518 ' N ' ' CD2' ' A' ' 51' ' ' TYR . . . 79.52 25.01 59.63 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.496 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.426 HD12 ' N ' ' A' ' 74' ' ' ILE . 6.4 tp -93.13 135.54 34.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.809 0.337 . . . . 0.0 110.92 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.426 ' N ' HD12 ' A' ' 73' ' ' LEU . 85.2 mt -106.95 122.95 61.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.806 HG22 ' HA ' ' A' ' 32' ' ' SER . 65.1 p -136.54 150.16 48.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 78.4 t -56.14 123.34 6.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.161 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -101.24 -36.59 8.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 31.8 mtp85 -151.72 161.63 42.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.4 m -52.92 141.05 22.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.6 mt -103.56 168.67 9.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -132.6 123.42 26.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -77.86 -47.01 19.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -44.36 -46.47 9.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -69.89 -68.79 0.39 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.54 HG21 ' CE1' ' A' ' 88' ' ' HIS . 10.1 t -120.58 139.93 52.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.153 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -103.25 -42.05 5.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.105 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 75.3 mt -115.21 134.84 57.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.118 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.54 ' CE1' HG21 ' A' ' 85' ' ' THR . 28.8 m-70 -113.25 118.78 35.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 48.7 mttt -109.26 104.32 13.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.45 HG22 HG21 ' A' ' 61' ' ' THR . 91.2 t -117.73 135.62 57.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.19 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 14.1 m -112.2 138.88 48.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.181 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.445 HG13 ' HB3' ' A' ' 51' ' ' TYR . 96.4 t -114.41 140.17 36.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.171 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 62.0 mt -124.34 121.48 35.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -106.22 116.45 31.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 9.4 p -119.64 112.59 19.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.427 ' OD1' ' C ' ' A' ' 96' ' ' ASP . 1.4 t0 -97.03 -49.79 4.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 173.45 50.91 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 59.6 p -136.05 175.2 9.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.826 0.346 . . . . 0.0 110.875 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.6 m -41.54 -67.11 0.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 24.4 p -135.97 142.88 41.99 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.577 0.703 . . . . 0.0 111.157 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 175.38 8.18 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.709 2.273 . . . . 0.0 112.361 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -93.29 142.45 27.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.105 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 27.7 ptt85 -102.13 142.41 33.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.821 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -142.19 127.91 19.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.081 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 19.2 m -93.8 145.48 24.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.575 HG11 HG21 ' A' ' 34' ' ' ILE . 87.0 t -141.48 114.48 4.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.1 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 6.6 m -100.46 125.01 46.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.176 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.562 HG23 HG23 ' A' ' 21' ' ' VAL . 12.0 mt -115.35 110.47 32.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -87.76 126.14 34.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 88.3 t -86.93 121.65 37.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.127 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 59.4 p -102.65 144.91 30.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.16 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -54.65 170.27 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.521 HG21 ' HB2' ' A' ' 26' ' ' ASN . 0.6 OUTLIER -138.4 122.02 20.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.125 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.97 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.521 -0.231 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.8 m -101.32 -61.36 1.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.854 0.359 . . . . 0.0 110.828 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 p 51.11 32.94 8.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.08 120.91 1.7 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.8 t -58.01 119.91 7.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.87 0.367 . . . . 0.0 110.872 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.2 m -71.25 86.5 0.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.852 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.18 152.36 29.25 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.51 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -172.7 140.03 0.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.82 0.343 . . . . 0.0 110.86 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -143.65 125.97 15.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -158.76 127.95 5.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -90.9 147.55 36.17 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.616 0.722 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 133.5 25.66 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.6 2.2 . . . . 0.0 112.351 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.9 m -109.2 135.31 48.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.126 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.751 ' CD2' ' HB2' ' A' ' 104' ' ' ALA . 12.5 m-85 -87.5 129.68 34.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.448 ' HD3' ' CG ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -42.89 -33.69 0.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.448 ' CG ' ' HD3' ' A' ' 15' ' ' LYS . 9.6 mm-40 -149.25 138.88 21.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -78.9 -60.64 2.54 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.461 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -117.97 118.92 33.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.855 0.36 . . . . 0.0 110.926 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 18.9 t -132.16 118.94 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.091 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -94.48 122.35 36.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.4 HG21 ' CG1' ' A' ' 33' ' ' VAL . 27.4 m -116.27 149.1 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.109 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.49 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 17.4 p-80 -114.0 117.89 32.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.465 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 2.3 tt -138.49 137.1 19.71 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.648 0.737 . . . . 0.0 111.078 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.465 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.8 Cg_endo -69.74 159.92 51.63 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.348 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -76.97 -22.61 52.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.637 ' HB3' HG11 ' A' ' 113' ' ' VAL . 56.0 t30 -96.79 16.92 17.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.874 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.96 143.97 50.1 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.555 0.693 . . . . 0.0 111.073 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 143.66 51.66 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.682 2.254 . . . . 0.0 112.341 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 64.0 t -67.19 130.77 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.79 14.37 29.58 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.49 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 32.1 m -83.86 143.22 30.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.756 0.313 . . . . 0.0 111.165 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 58.0 p -89.02 106.56 18.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.4 ' CG1' HG21 ' A' ' 21' ' ' VAL . 44.2 t -75.87 -68.66 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.15 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.0 tt -137.36 152.44 27.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.763 ' OE1' HD13 ' A' ' 73' ' ' LEU . 40.6 tp60 -116.73 127.91 54.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.5 mt -111.4 109.69 19.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.952 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -106.78 116.59 32.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -119.01 127.21 53.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.1 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.6 p -124.73 158.63 32.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.152 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -142.84 172.94 12.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -41.4 103.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -57.28 -73.31 0.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.58 ' O ' HG23 ' A' ' 43' ' ' ILE . 9.3 tp -51.45 114.1 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.152 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 145.38 -108.63 0.48 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.494 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.0 t -122.81 144.26 49.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.888 0.375 . . . . 0.0 110.823 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -75.69 119.7 20.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.402 ' HB1' ' HB2' ' A' ' 96' ' ' ASP . . . -114.12 125.81 54.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -97.89 90.79 5.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.488 ' CG2' ' HB1' ' A' ' 94' ' ' ALA . 28.0 mt -61.14 121.16 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.101 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 12.7 mmt85 -98.03 137.42 36.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.585 ' CD2' ' CA ' ' A' ' 72' ' ' GLY . 10.2 m-85 -107.21 115.8 30.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 12.7 pt -124.66 158.92 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.178 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.501 ' CD2' ' HG2' ' A' ' 62' ' ' LYS . 76.3 m-85 -66.96 136.33 55.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.79 -165.36 0.38 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.459 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -91.62 151.14 20.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.732 0.301 . . . . 0.0 111.127 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 20.5 mp0 59.44 43.85 15.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 88.1 t -97.53 116.2 39.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -45.85 143.94 3.01 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.588 0.709 . . . . 0.0 111.084 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -45.09 1.71 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.702 2.268 . . . . 0.0 112.322 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.59 -33.79 56.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.103 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.431 HG21 HG22 ' A' ' 90' ' ' VAL . 93.2 m -70.4 -63.94 0.99 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.501 ' HG2' ' CD2' ' A' ' 53' ' ' PHE . 18.5 mtmt -37.63 -32.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.5 ttt85 -82.92 -66.03 0.94 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 34.6 mt -39.19 -39.84 0.66 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -113.58 142.75 45.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -110.92 118.28 35.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.083 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.7 tp -106.2 107.06 17.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -67.06 132.34 47.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -92.51 5.8 49.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.2 p -116.2 -26.05 7.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 21.3 p -117.38 -17.3 10.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.194 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.585 ' CA ' ' CD2' ' A' ' 51' ' ' TYR . . . 64.46 27.3 71.56 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.456 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.763 HD13 ' OE1' ' A' ' 35' ' ' GLN . 10.8 tp -104.99 133.27 50.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.725 0.298 . . . . 0.0 110.922 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 97.4 mt -98.11 128.79 49.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.134 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 61.5 p -135.31 170.97 15.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 42.4 t -90.68 122.66 42.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.102 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -95.14 -44.05 7.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 36.1 mtt-85 -133.88 163.41 29.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.1 t -53.25 154.21 3.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.1 mt -113.63 160.14 18.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -123.72 139.41 54.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.818 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -96.66 -26.51 15.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -75.21 -10.69 59.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -102.69 -64.01 1.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.638 HG21 ' CE1' ' A' ' 88' ' ' HIS . 10.2 t -129.87 109.87 11.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.158 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.433 ' HB3' HD12 ' A' ' 87' ' ' ILE . . . -73.35 -42.3 62.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.066 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.433 HD12 ' HB3' ' A' ' 86' ' ' ALA . 5.3 mp -113.66 138.54 43.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.093 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.638 ' CE1' HG21 ' A' ' 85' ' ' THR . 24.8 m-70 -113.46 112.96 24.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -101.77 111.97 24.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.431 HG22 HG21 ' A' ' 61' ' ' THR . 60.4 t -130.36 124.71 58.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.156 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 23.0 m -105.41 126.82 52.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.44 ' CG1' ' HB3' ' A' ' 51' ' ' TYR . 49.0 t -102.16 134.63 42.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 14.9 mt -108.78 137.03 47.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.488 ' HB1' ' CG2' ' A' ' 49' ' ' ILE . . . -112.69 101.03 9.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.067 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 42.7 t -110.94 114.43 27.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.402 ' HB2' ' HB1' ' A' ' 47' ' ' ALA . 1.9 p30 -119.6 1.51 11.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 112.67 41.45 1.02 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.469 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 t -121.07 179.9 4.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.939 0.4 . . . . 0.0 110.808 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 67.3 m -50.88 -71.99 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.3 p -123.36 144.09 42.96 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.57 0.7 . . . . 0.0 111.162 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 166.73 26.6 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.708 2.272 . . . . 0.0 112.376 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -87.17 151.9 22.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 12.0 mmt85 -114.65 134.51 55.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.751 ' HB2' ' CD2' ' A' ' 14' ' ' PHE . . . -150.19 116.51 5.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 59.1 m -102.41 127.63 49.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.414 HG12 HG13 ' A' ' 108' ' ' ILE . 94.0 t -109.68 101.18 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 5.4 m -75.19 102.94 5.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.136 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.414 HG13 HG12 ' A' ' 106' ' ' VAL . 30.4 mt -101.21 111.97 32.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.153 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -90.93 136.99 32.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 46.0 t -102.5 116.65 46.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.082 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 1.5 p -100.85 170.42 8.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.154 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -81.77 163.1 22.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.637 HG11 ' HB3' ' A' ' 26' ' ' ASN . 25.5 m -119.69 -27.14 2.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 73.9 m-80 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.983 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.7 m 42.42 42.21 2.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.905 0.383 . . . . 0.0 110.848 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.2 p 43.38 42.14 3.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.833 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.64 48.25 0.6 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.434 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.6 t -96.74 155.78 16.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.916 0.388 . . . . 0.0 110.877 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 t -163.96 167.83 20.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.846 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.04 -75.76 0.16 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -132.74 168.63 17.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.848 0.356 . . . . 0.0 110.857 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -174.26 119.64 0.25 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.86 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -46.35 97.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.2 150.02 0.2 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.566 0.698 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 117.77 5.28 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.661 2.241 . . . . 0.0 112.317 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 71.4 t -102.53 124.1 56.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.498 ' CD1' HD22 ' A' ' 36' ' ' LEU . 10.8 m-85 -93.39 111.9 23.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 16' ' ' GLU . 18.1 tptm -64.54 134.11 53.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.447 ' O ' HG23 ' A' ' 19' ' ' VAL . 14.0 pt-20 34.79 53.78 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -44.79 -47.29 9.26 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.494 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -79.52 119.84 23.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.349 . . . . 0.0 110.886 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.497 HG12 ' N ' ' A' ' 20' ' ' GLU . 73.3 t -149.73 157.85 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.497 ' N ' HG12 ' A' ' 19' ' ' VAL . 20.8 tt0 -124.65 109.71 13.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.5 m -100.91 163.38 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.146 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 69.9 m80 -125.78 106.62 9.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.475 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 7.5 tt -128.74 136.12 28.66 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.68 0.752 . . . . 0.0 111.106 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.475 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.8 Cg_endo -69.73 145.4 57.2 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.663 2.242 . . . . 0.0 112.365 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -61.38 -29.53 69.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.578 ' HB3' HG11 ' A' ' 113' ' ' VAL . 41.9 t30 -92.53 14.25 17.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.34 142.73 10.58 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.64 0.734 . . . . 0.0 111.055 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 136.49 32.96 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.669 2.246 . . . . 0.0 112.307 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.426 HG13 ' O ' ' A' ' 76' ' ' VAL . 24.7 t -61.42 140.67 18.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.85 0.09 59.04 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.524 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 32.1 m -78.7 141.52 37.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.842 0.353 . . . . 0.0 111.115 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.584 ' HA ' HG22 ' A' ' 75' ' ' THR . 58.2 p -76.71 109.13 10.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.817 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.7 t -78.7 -69.35 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.142 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.718 HG12 HG21 ' A' ' 106' ' ' VAL . 3.7 tp -136.05 146.3 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.484 ' OE1' HD13 ' A' ' 73' ' ' LEU . 38.6 tp60 -128.05 126.91 42.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.498 HD22 ' CD1' ' A' ' 14' ' ' PHE . 18.6 mt -100.45 146.62 26.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 14.8 t-160 -113.52 111.17 21.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -123.02 110.38 15.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.114 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 42.7 p -136.7 127.18 26.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.112 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -107.57 -40.84 5.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -138.29 147.07 43.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -99.23 -50.37 4.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.839 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.56 ' O ' HG23 ' A' ' 43' ' ' ILE . 5.8 tp -71.6 114.03 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.39 -59.79 0.55 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.549 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 41.9 m 64.24 45.61 3.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.9 0.381 . . . . 0.0 110.861 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -98.43 38.18 1.38 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -130.15 101.35 5.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.117 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -91.44 92.52 8.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.933 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 86.4 mt -80.43 121.27 33.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.13 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -102.81 117.24 34.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.454 ' HB3' ' CG1' ' A' ' 92' ' ' VAL . 0.9 OUTLIER -80.09 159.24 26.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 -179.847 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 12.3 pt -153.04 173.89 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -75.86 126.76 31.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.809 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.811 ' HA2' HD12 ' A' ' 93' ' ' LEU . . . -66.54 -158.51 0.66 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.496 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -95.79 156.83 16.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.76 0.314 . . . . 0.0 111.125 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 61.85 38.32 14.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.1 t -102.04 127.83 55.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.171 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.92 152.28 95.02 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.637 0.732 . . . . 0.0 111.084 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -46.8 1.07 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.668 2.245 . . . . 0.0 112.355 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.57 -36.58 64.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.061 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.563 ' CG2' HG22 ' A' ' 90' ' ' VAL . 93.2 m -68.83 -25.15 64.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.162 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -75.87 -37.74 58.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 33.2 ttt180 -82.79 -55.3 4.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 46.1 mt -50.05 -36.14 27.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -116.38 137.42 52.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.644 ' HB2' ' HB2' ' A' ' 77' ' ' GLN . . . -100.81 116.98 33.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 tp -109.65 105.89 15.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 -65.97 118.67 10.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 28.9 m120 -83.3 5.77 22.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 88.4 m -106.78 -27.86 10.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.401 ' C ' ' CE1' ' A' ' 51' ' ' TYR . 43.4 p -126.73 -27.02 3.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.68 11.46 71.05 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.485 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.484 HD13 ' OE1' ' A' ' 35' ' ' GLN . 20.0 tp -87.01 116.61 25.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.764 0.316 . . . . 0.0 110.904 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.617 HD12 ' CG2' ' A' ' 34' ' ' ILE . 84.2 mt -88.9 122.36 40.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.158 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.584 HG22 ' HA ' ' A' ' 32' ' ' SER . 41.3 p -127.91 152.7 47.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.426 ' O ' HG13 ' A' ' 29' ' ' VAL . 70.9 t -57.96 109.56 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.145 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.644 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 40.7 tt0 -83.71 -39.65 19.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 58.0 mtt-85 -148.33 169.55 19.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.0 m -58.09 133.3 55.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.826 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.2 mt -95.17 164.83 12.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.51 126.68 31.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.729 ' HD2' HG12 ' A' ' 110' ' ' VAL . 8.5 ttt-85 -86.35 -23.48 26.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -56.79 -44.88 82.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -75.63 -61.46 1.91 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 6.0 t -138.67 132.12 30.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.136 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.629 ' O ' HG23 ' A' ' 110' ' ' VAL . . . -94.64 -34.04 12.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.092 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 81.3 mt -103.68 121.07 54.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.152 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 15.8 m80 -108.8 118.2 36.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -108.94 111.93 23.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.563 HG22 ' CG2' ' A' ' 61' ' ' THR . 97.1 t -119.46 120.8 64.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.139 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 57.1 m -101.14 133.51 45.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.454 ' CG1' ' HB3' ' A' ' 51' ' ' TYR . 93.6 t -116.27 130.95 70.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.128 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.811 HD12 ' HA2' ' A' ' 54' ' ' GLY . 11.5 mt -110.9 123.99 51.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -102.01 128.8 48.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.2 t -133.03 122.34 24.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.814 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -103.63 -46.43 4.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.829 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 149.39 133.53 2.21 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.502 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.3 m 47.56 50.85 14.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.872 0.368 . . . . 0.0 110.864 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 100' ' ' THR . 1.1 t -173.67 116.78 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.821 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.635 HG23 ' HD2' ' A' ' 101' ' ' PRO . 95.1 m -36.71 138.68 0.49 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.571 0.7 . . . . 0.0 111.102 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.635 ' HD2' HG23 ' A' ' 100' ' ' THR . 54.0 Cg_endo -69.73 153.0 69.59 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.659 2.24 . . . . 0.0 112.369 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -100.7 118.26 36.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -91.0 133.17 35.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.413 ' HB2' ' CD2' ' A' ' 14' ' ' PHE . . . -136.0 124.5 23.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 35.5 m -99.28 142.48 30.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.184 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.718 HG21 HG12 ' A' ' 34' ' ' ILE . 84.1 t -134.28 115.42 20.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.9 m -86.73 128.54 35.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.168 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 53.0 mt -117.48 106.38 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -85.41 126.27 33.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.729 HG12 ' HD2' ' A' ' 82' ' ' ARG . 86.0 t -95.4 127.79 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.169 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 11.5 p -111.88 162.12 15.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.51 160.48 30.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.578 HG11 ' HB3' ' A' ' 26' ' ' ASN . 0.1 OUTLIER -121.41 -18.11 5.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.083 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 29.4 p30 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.981 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.2 p -143.5 141.61 30.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.901 0.382 . . . . 0.0 110.824 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.1 t -74.32 -57.47 3.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.818 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.14 171.42 2.28 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.488 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.6 m -119.58 40.91 3.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.87 0.367 . . . . 0.0 110.871 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.4 p -131.84 154.17 49.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.27 169.88 24.87 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.461 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -119.07 -29.26 5.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.821 0.343 . . . . 0.0 110.884 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -166.57 166.68 16.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -124.86 -29.68 3.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.8 ptp85 -82.84 145.21 49.62 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.607 0.718 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 153.41 69.06 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.665 2.244 . . . . 0.0 112.372 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.9 p -132.65 144.2 37.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.099 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.46 ' CD2' ' HB2' ' A' ' 104' ' ' ALA . 30.0 m-85 -88.39 136.85 32.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.9 ttmt -43.45 -38.18 2.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.2 pm0 -142.25 -177.82 5.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -112.71 -68.34 0.52 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.53 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -115.23 145.93 41.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.82 0.343 . . . . 0.0 110.933 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 91.7 t -150.32 116.09 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -85.14 118.96 25.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 18.8 m -112.96 159.34 12.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.095 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.512 ' O ' ' CG ' ' A' ' 22' ' ' HIS . 28.2 p-80 -123.2 114.42 20.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.882 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.5 tt -133.6 132.79 21.94 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.616 0.722 . . . . 0.0 111.139 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 141.37 45.39 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.722 2.281 . . . . 0.0 112.377 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -55.64 -35.01 65.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.859 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.516 ' HB3' HG11 ' A' ' 113' ' ' VAL . 59.2 t30 -92.55 25.8 2.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.64 144.11 66.07 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.632 0.73 . . . . 0.0 111.09 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 130.94 20.21 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.655 2.236 . . . . 0.0 112.336 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.3 t -54.75 114.76 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.166 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 117.67 13.98 7.06 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.483 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.8 m -83.56 132.62 34.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.809 0.338 . . . . 0.0 111.089 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.523 ' HA ' HG22 ' A' ' 75' ' ' THR . 47.0 m -74.51 115.09 13.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.1 t -84.47 -68.18 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.2 tp -140.6 143.23 29.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.109 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.0 tm0? -116.15 123.92 49.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 46.2 mt -106.7 131.34 53.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -126.92 105.33 8.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -128.84 91.23 3.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.106 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.9 p -103.95 159.79 15.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.169 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -104.84 176.74 5.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 42' ' ' ASP . . . -44.22 97.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.078 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 41' ' ' ALA . 8.7 p-10 -36.51 -42.69 0.36 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.431 ' C ' HD12 ' A' ' 43' ' ' ILE . 0.5 OUTLIER -56.11 92.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.56 84.09 0.4 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.9 t -95.41 78.63 3.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.899 0.381 . . . . 0.0 110.824 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -97.01 36.2 1.46 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -119.29 178.32 4.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.075 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -133.52 81.52 1.93 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 9.7 mm -64.07 118.57 6.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.101 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -130.94 139.65 50.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.448 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 21.9 m-85 -113.44 118.44 34.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.532 HD11 HD12 ' A' ' 93' ' ' LEU . 2.8 pp -118.75 166.52 13.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.175 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.468 ' O ' HD12 ' A' ' 52' ' ' ILE . 33.9 m-85 -70.36 139.27 51.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -51.5 -175.03 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.501 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.73 156.82 18.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.702 0.287 . . . . 0.0 111.149 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 43.62 47.11 6.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 54.6 t -97.98 109.97 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.087 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.427 ' HB1' ' HD2' ' A' ' 59' ' ' PRO . . . -42.8 155.51 0.26 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.554 0.692 . . . . 0.0 111.103 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.427 ' HD2' ' HB1' ' A' ' 58' ' ' ALA . 53.9 Cg_endo -69.72 -47.22 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.676 2.251 . . . . 0.0 112.362 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -49.83 -53.58 24.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.9 m -52.98 -16.27 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -103.55 -21.71 13.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -81.36 -32.71 32.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 50.3 mt -81.29 -32.6 33.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -119.23 142.29 48.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -114.75 117.23 30.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.086 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.464 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 11.0 tp -99.37 140.71 33.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -103.74 143.39 32.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 51' ' ' TYR . 0.4 OUTLIER -104.12 1.78 31.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.4 p -106.74 -27.66 10.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.4 p -119.12 -28.37 5.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 77.87 37.83 28.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.499 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.0 tp -115.82 138.57 51.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.858 0.361 . . . . 0.0 110.912 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 85.8 mt -105.62 113.87 43.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.142 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.523 HG22 ' HA ' ' A' ' 32' ' ' SER . 12.5 p -119.83 169.91 9.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.173 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 66.2 t -83.29 138.47 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -106.91 -38.89 5.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 45.9 mtp180 -146.68 153.26 40.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.4 m -40.32 150.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.3 mt -104.52 158.6 16.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -120.5 115.01 22.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -84.37 -35.62 23.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -55.36 -19.22 8.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -101.45 -62.73 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.549 HG21 ' CE1' ' A' ' 88' ' ' HIS . 5.2 t -128.3 147.29 50.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.191 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.541 ' O ' HG23 ' A' ' 110' ' ' VAL . . . -116.6 -32.78 5.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.125 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 22.5 mm -110.11 124.46 66.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.138 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.549 ' CE1' HG21 ' A' ' 85' ' ' THR . 56.3 m-70 -117.36 114.12 23.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.7 mttt -106.13 113.42 26.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 57.8 t -117.67 132.27 67.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 21.6 m -107.3 130.7 54.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.136 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 86.4 t -110.25 144.72 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.532 HD12 HD11 ' A' ' 52' ' ' ILE . 25.4 mt -125.01 126.07 44.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -109.74 119.21 38.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 42.0 p -114.22 150.75 33.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -111.76 -57.93 2.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 173.75 -53.84 0.15 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.464 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 75.4 m -122.82 50.63 1.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.892 0.377 . . . . 0.0 110.827 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 73.1 m -165.12 146.21 7.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.852 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 37.0 p -61.55 143.87 93.07 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.572 0.701 . . . . 0.0 111.145 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 146.1 58.97 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.646 2.231 . . . . 0.0 112.323 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -85.75 151.42 23.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 45.4 mtm-85 -105.2 134.74 47.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.92 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.46 ' HB2' ' CD2' ' A' ' 14' ' ' PHE . . . -140.31 118.19 11.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 91.8 m -99.28 136.56 39.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 92.0 t -128.93 115.26 35.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.143 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 7.8 m -87.02 124.55 33.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 16.3 mt -116.54 123.56 71.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.175 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -104.57 132.5 50.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 86' ' ' ALA . 39.5 t -98.14 115.24 37.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.092 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 68.7 p -98.18 164.3 12.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -69.16 176.49 3.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.516 HG11 ' HB3' ' A' ' 26' ' ' ASN . 0.2 OUTLIER -142.88 124.51 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.116 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 16.4 t30 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.548 -0.221 . . . . 0.0 112.548 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.9 m -154.61 145.1 22.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.879 0.371 . . . . 0.0 110.834 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.7 m -146.34 164.71 31.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.27 170.1 23.72 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.482 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -126.84 131.38 51.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.886 0.374 . . . . 0.0 110.849 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.8 m -50.5 154.72 1.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.84 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.82 93.95 0.34 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.539 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -93.25 140.63 29.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.789 0.328 . . . . 0.0 110.925 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -129.27 104.61 7.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -169.38 134.69 1.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -102.91 142.63 24.95 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.638 0.732 . . . . 0.0 110.825 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 97.88 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.702 2.268 . . . . 0.0 112.369 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.553 ' O ' HG23 ' A' ' 13' ' ' VAL . 32.3 m -82.5 118.32 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.091 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.455 ' CZ ' ' HB2' ' A' ' 94' ' ' ALA . 18.8 m-85 -63.22 111.53 2.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -38.12 -46.84 1.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -130.79 107.68 9.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.51 -93.83 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.446 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -87.1 122.57 31.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.889 0.376 . . . . 0.0 110.931 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 19.3 t -133.05 136.63 55.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.128 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -104.39 129.01 52.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.5 m -125.01 154.79 33.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -120.17 107.85 13.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.826 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.463 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 9.5 tt -124.1 135.75 26.74 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.608 0.718 . . . . 0.0 111.143 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.463 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.8 Cg_endo -69.78 145.15 56.17 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.7 2.267 . . . . 0.0 112.317 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -62.35 -31.99 72.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.576 ' HB2' HG21 ' A' ' 113' ' ' VAL . 26.5 m-20 -87.91 17.09 5.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.46 142.53 76.54 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.539 0.685 . . . . 0.0 111.142 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 128.17 15.67 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.677 2.252 . . . . 0.0 112.371 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 77' ' ' GLN . 12.0 p -56.24 130.44 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.141 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.66 15.18 23.4 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.459 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 87.8 m -88.92 131.14 35.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.791 0.329 . . . . 0.0 111.101 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.759 ' HA ' HG22 ' A' ' 75' ' ' THR . 85.1 p -69.32 116.01 9.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 85.2 t -87.29 -67.52 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.146 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.431 HG13 ' N ' ' A' ' 35' ' ' GLN . 7.6 tp -139.61 147.35 24.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.617 ' HB2' HD13 ' A' ' 73' ' ' LEU . 2.5 tp-100 -121.89 137.03 54.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.454 ' CD1' HG11 ' A' ' 92' ' ' VAL . 21.5 mt -102.52 133.58 47.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -125.84 105.96 9.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.593 ' O ' HD12 ' A' ' 49' ' ' ILE . . . -122.49 101.67 7.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.3 p -122.95 115.32 21.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.135 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -68.68 175.04 3.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -52.46 109.24 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -44.25 -48.56 9.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.567 ' O ' HG23 ' A' ' 43' ' ' ILE . 2.8 tp -68.56 112.96 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.159 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 148.15 -95.91 0.17 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.3 m -151.07 127.57 10.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.82 0.343 . . . . 0.0 110.892 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -53.8 133.21 42.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.408 ' CB ' ' OD1' ' A' ' 96' ' ' ASP . . . -127.72 149.25 50.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -110.29 93.2 4.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.593 HD12 ' O ' ' A' ' 38' ' ' ALA . 49.0 mt -78.67 126.11 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.163 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.426 ' CD ' ' O ' ' A' ' 69' ' ' ASN . 6.1 tpp85 -112.28 130.1 56.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.461 ' CD1' ' HA3' ' A' ' 72' ' ' GLY . 3.4 m-85 -101.05 136.11 41.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.62 HD11 HD12 ' A' ' 93' ' ' LEU . 2.9 pp -135.84 164.75 31.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.101 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.516 ' CZ ' ' HG2' ' A' ' 62' ' ' LYS . 18.1 m-85 -63.42 133.88 54.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -55.88 -170.08 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.501 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.69 155.49 18.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.754 0.311 . . . . 0.0 111.154 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 49.47 49.91 19.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.405 HG12 ' HE2' ' A' ' 62' ' ' LYS . 84.9 t -95.64 118.26 41.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.177 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.68 144.62 79.82 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.617 0.723 . . . . 0.0 111.039 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -44.37 2.11 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.645 2.23 . . . . 0.0 112.336 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -47.77 -40.38 20.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.076 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 87.5 m -68.19 -54.94 14.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.516 ' HG2' ' CZ ' ' A' ' 53' ' ' PHE . 42.9 mtmt -54.65 -34.51 62.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -58.42 -51.07 71.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.835 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 77' ' ' GLN . 2.3 mp -69.82 -52.67 23.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.952 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -104.89 131.46 52.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.503 ' HB2' ' HG3' ' A' ' 77' ' ' GLN . . . -105.13 159.91 15.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.428 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 18.1 tp -137.81 125.14 21.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 -95.0 131.73 40.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.426 ' O ' ' CD ' ' A' ' 50' ' ' ARG . 1.3 m120 -85.95 -15.53 41.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 90.0 m -89.42 -28.4 19.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 77.2 p -114.38 -26.96 7.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.157 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.461 ' HA3' ' CD1' ' A' ' 51' ' ' TYR . . . 69.13 28.51 72.77 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.513 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.617 HD13 ' HB2' ' A' ' 35' ' ' GLN . 29.7 tp -112.36 134.29 53.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.741 0.305 . . . . 0.0 110.944 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.438 HD11 HG21 ' A' ' 92' ' ' VAL . 55.8 mt -98.23 132.13 43.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.118 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.759 HG22 ' HA ' ' A' ' 32' ' ' SER . 23.6 p -139.05 159.58 41.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 45.9 t -67.51 100.3 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.503 ' HG3' ' HB2' ' A' ' 66' ' ' ALA . 4.4 tt0 -67.0 -49.82 64.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 38.5 mtp180 -137.66 162.93 32.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 10.3 t -46.68 156.05 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.9 mt -106.54 142.26 36.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.427 ' CG ' ' HG2' ' A' ' 83' ' ' GLU . 9.6 t0 -124.71 127.66 47.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' A' ' 84' ' ' GLU . 17.3 mtp180 -87.29 -42.7 12.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.427 ' HG2' ' CG ' ' A' ' 81' ' ' ASP . 12.5 pt-20 -39.25 -26.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 82' ' ' ARG . 21.8 tp10 -99.89 -56.88 2.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.652 HG21 ' CE1' ' A' ' 88' ' ' HIS . 14.0 t -138.82 133.6 32.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.135 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -97.43 -28.76 13.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.077 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 65.0 mt -120.71 133.67 66.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.169 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.652 ' CE1' HG21 ' A' ' 85' ' ' THR . 69.1 m-70 -113.83 140.56 48.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -125.79 105.8 9.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 52.0 t -114.15 134.91 55.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.16 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 8.4 m -116.64 131.28 56.99 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.133 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.454 HG11 ' CD1' ' A' ' 36' ' ' LEU . 33.5 t -121.6 137.15 56.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.151 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.62 HD12 HD11 ' A' ' 52' ' ' ILE . 55.3 mt -102.93 155.94 18.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.455 ' HB2' ' CZ ' ' A' ' 14' ' ' PHE . . . -135.38 114.39 12.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.796 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.423 ' O ' HG23 ' A' ' 49' ' ' ILE . 15.0 p -115.65 133.62 55.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.408 ' OD1' ' CB ' ' A' ' 47' ' ' ALA . 0.6 OUTLIER -110.89 -47.65 3.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.825 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 146.87 137.5 3.01 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.473 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 37.2 m 52.8 44.55 30.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.905 0.383 . . . . 0.0 110.888 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.7 t -174.32 153.66 2.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.826 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 28.8 p -72.84 137.52 79.82 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.635 0.731 . . . . 0.0 111.115 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 146.2 59.41 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.721 2.281 . . . . 0.0 112.32 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -92.03 161.93 14.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.095 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 37.1 ptt180 -126.09 132.23 51.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -124.13 117.21 24.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 95.5 m -90.56 119.46 30.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.157 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 67.7 t -112.26 125.76 69.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 25.4 m -97.36 118.28 33.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.146 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 59.5 mt -107.45 101.71 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -85.36 125.13 32.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 24.2 t -94.14 115.67 33.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 78.7 p -97.55 169.3 9.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -83.23 -177.75 6.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.576 HG21 ' HB2' ' A' ' 26' ' ' ASN . 19.6 m -148.07 129.8 6.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.136 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 53.9 p30 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 -179.97 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.9 t -120.07 146.65 45.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.886 0.374 . . . . 0.0 110.828 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.3 t 45.46 41.94 7.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.7 122.24 1.06 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.535 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.1 p -64.08 81.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.363 . . . . 0.0 110.839 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.4 p -78.92 158.19 28.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.847 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.33 130.0 0.87 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.51 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -150.4 169.72 20.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.842 0.353 . . . . 0.0 110.852 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 48.98 44.91 22.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -93.46 55.61 2.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.0 ptt-85 -60.45 141.13 91.79 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.607 0.718 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 176.74 6.35 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.7 2.267 . . . . 0.0 112.346 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.4 p -142.23 133.61 25.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.08 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.525 ' CZ ' ' HB2' ' A' ' 94' ' ' ALA . 6.1 m-85 -97.62 76.86 2.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt -38.84 133.12 1.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.57 ' O ' HG23 ' A' ' 19' ' ' VAL . 27.7 mt-10 62.11 46.41 6.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -40.42 -88.17 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.553 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.3 mp0 -72.06 118.69 15.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.831 0.348 . . . . 0.0 110.935 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 16' ' ' GLU . 43.7 t -140.66 151.02 20.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -115.61 140.77 48.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.8 m -136.06 163.02 35.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.147 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 65.7 m-70 -131.54 104.43 6.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.407 HD11 ' CB ' ' A' ' 27' ' ' ALA . 1.9 tt -123.44 135.9 26.57 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.616 0.722 . . . . 0.0 111.137 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.412 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 53.2 Cg_endo -69.78 148.26 64.55 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.7 2.267 . . . . 0.0 112.353 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -59.16 -39.7 83.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.488 ' HB2' HG11 ' A' ' 113' ' ' VAL . 19.8 m120 -85.36 13.35 6.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.412 ' HB2' ' O ' ' A' ' 24' ' ' PRO . . . -45.05 143.51 2.36 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.567 0.698 . . . . 0.0 111.104 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 129.86 18.32 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.702 2.268 . . . . 0.0 112.329 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.496 HG13 ' O ' ' A' ' 76' ' ' VAL . 96.1 t -56.82 134.19 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.118 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.5 12.21 36.2 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.521 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 39.0 m -89.78 121.87 32.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.747 0.308 . . . . 0.0 111.165 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.681 ' OG ' HD11 ' A' ' 73' ' ' LEU . 38.4 t -68.3 112.54 5.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.9 t -81.61 -54.84 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.109 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.902 HD13 ' N ' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -141.9 152.94 18.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.145 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.902 ' N ' HD13 ' A' ' 34' ' ' ILE . 21.2 tt0 -132.78 128.13 36.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.413 HD22 ' CD1' ' A' ' 14' ' ' PHE . 17.0 mt -106.48 142.72 35.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -133.93 107.11 7.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.834 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -125.99 109.21 12.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.8 p -127.99 133.96 49.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 42' ' ' ASP . 1.3 p30 -74.21 98.09 3.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 40' ' ' ASP . . . -34.45 -32.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 40' ' ' ASP . 2.2 t70 -76.29 47.79 0.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 4.3 pt -58.26 109.8 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 177.07 -40.24 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.473 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.7 m -92.38 158.75 15.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.86 0.362 . . . . 0.0 110.892 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 53.4 m-20 -67.68 93.4 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -119.83 136.63 54.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.055 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -127.7 111.53 13.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.435 ' CG2' ' HB1' ' A' ' 94' ' ' ALA . 80.8 mt -100.89 119.37 48.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.2 mmt-85 -107.56 150.79 26.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.831 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.511 ' CD2' ' CA ' ' A' ' 72' ' ' GLY . 46.4 m-85 -110.82 104.96 13.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.447 HG22 ' ND2' ' A' ' 69' ' ' ASN . 8.6 pt -114.5 170.63 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.099 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.45 ' CD2' ' HD3' ' A' ' 62' ' ' LYS . 50.9 m-85 -64.97 141.59 58.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 91' ' ' THR . . . -78.45 -165.19 27.17 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.502 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.99 149.29 21.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.749 0.309 . . . . 0.0 111.082 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 60.24 51.14 5.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.5 t -114.39 115.86 50.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.03 150.52 14.86 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.573 0.701 . . . . 0.0 111.082 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -35.64 12.27 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.683 2.255 . . . . 0.0 112.308 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.3 -47.55 85.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.072 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.542 HG21 HG22 ' A' ' 90' ' ' VAL . 30.8 m -57.63 -31.46 66.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.122 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.45 ' HD3' ' CD2' ' A' ' 53' ' ' PHE . 47.5 mttt -67.22 -36.9 82.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.902 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 51.2 ttt180 -78.78 -67.38 0.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.885 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 96.4 mt -41.4 -45.73 3.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.434 ' CZ ' HD22 ' A' ' 80' ' ' LEU . 92.3 m-85 -108.77 126.61 53.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.05 145.9 24.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 15.5 tp -127.09 136.69 52.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -99.63 126.37 45.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.447 ' ND2' HG22 ' A' ' 52' ' ' ILE . 4.7 m120 -87.18 -3.8 59.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 76.2 p -106.57 -24.78 12.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.171 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 28.2 p -125.23 -0.63 7.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.155 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.511 ' CA ' ' CD2' ' A' ' 51' ' ' TYR . . . 47.99 35.2 12.84 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.513 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.681 HD11 ' OG ' ' A' ' 32' ' ' SER . 22.3 tp -105.64 145.48 30.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.837 0.351 . . . . 0.0 110.887 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.46 HD12 ' CG2' ' A' ' 34' ' ' ILE . 72.9 mt -113.63 117.31 55.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 28.7 p -121.63 159.6 26.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.496 ' O ' HG13 ' A' ' 29' ' ' VAL . 46.3 t -74.68 118.35 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.5 tt0 -81.56 -45.46 15.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 42.3 mtp180 -150.92 169.01 22.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 t -45.93 162.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.434 HD22 ' CZ ' ' A' ' 65' ' ' PHE . 2.5 mt -123.63 166.32 15.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.919 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -131.55 125.2 31.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 33.6 ttp180 -85.81 -25.09 26.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -57.81 -25.91 61.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -92.35 -62.26 1.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.853 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.467 ' O ' HG23 ' A' ' 85' ' ' THR . 7.3 t -138.16 118.44 13.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.099 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -78.02 -38.0 45.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.097 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 87.5 mt -109.55 132.13 58.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.094 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.442 ' CE1' HG23 ' A' ' 85' ' ' THR . 16.9 m80 -112.26 130.92 55.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 39.0 mttt -120.08 111.8 18.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.542 HG22 HG21 ' A' ' 61' ' ' THR . 88.5 t -118.03 137.25 52.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.839 HG23 ' O ' ' A' ' 104' ' ' ALA . 60.7 m -121.48 130.25 53.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.156 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 84.0 t -113.58 150.08 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' A' ' 103' ' ' ARG . 17.0 mt -125.24 137.07 54.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.525 ' HB2' ' CZ ' ' A' ' 14' ' ' PHE . . . -112.4 107.74 16.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.1 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 86.1 p -106.84 127.62 53.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -113.74 -47.8 2.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -158.98 -131.43 1.25 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.477 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 26.8 t -63.85 -40.15 95.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.871 0.367 . . . . 0.0 110.856 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 100' ' ' THR . 1.4 t -56.65 113.37 1.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 99' ' ' SER . 29.5 p -36.01 142.6 0.3 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.58 0.705 . . . . 0.0 111.175 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 131.16 20.67 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.665 2.243 . . . . 0.0 112.334 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.67 158.94 31.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.096 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.472 ' HA ' HD23 ' A' ' 93' ' ' LEU . 34.4 ptt85 -122.93 150.08 43.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.912 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.839 ' O ' HG23 ' A' ' 91' ' ' THR . . . -142.04 152.52 43.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 11.8 m -129.64 134.83 47.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.118 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 45.1 t -130.0 131.88 65.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.2 m -103.13 121.32 42.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 37.4 mt -113.4 133.79 58.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -112.33 143.25 43.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 57.1 t -119.06 107.77 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.133 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.455 ' OG1' ' N ' ' A' ' 112' ' ' ASP . 0.1 OUTLIER -104.38 171.46 7.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.074 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.455 ' N ' ' OG1' ' A' ' 111' ' ' THR . 27.5 t70 -61.22 169.29 2.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.488 HG11 ' HB2' ' A' ' 26' ' ' ASN . 1.3 t -115.59 -41.66 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.082 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.978 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.0 m 55.1 41.06 32.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.909 0.385 . . . . 0.0 110.818 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.6 m -110.41 85.99 2.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.91 -170.4 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.497 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.1 p -130.29 137.31 49.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.874 0.368 . . . . 0.0 110.837 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.8 p -46.16 148.36 0.89 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.53 110.79 1.29 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -91.89 -50.51 5.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.821 0.343 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -63.46 108.24 1.3 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 15.1 m-20 -88.68 92.47 9.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -100.14 141.1 22.1 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.568 0.699 . . . . 0.0 110.929 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 120.3 7.11 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.704 2.269 . . . . 0.0 112.342 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.7 p -80.56 131.22 34.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -92.9 104.15 16.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.6 tttm -75.85 135.94 40.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 61.34 43.67 10.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.86 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -40.41 -64.95 1.06 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.481 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -93.51 126.06 38.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 0.0 110.916 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 79.6 t -153.09 135.27 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.493 ' CG ' ' OD1' ' A' ' 109' ' ' ASN . 6.8 tt0 -98.22 120.96 39.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.6 m -118.2 153.85 20.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 7.3 p-80 -113.63 129.21 56.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.476 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 5.3 tt -149.05 136.37 10.96 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.693 0.758 . . . . 0.0 111.115 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.476 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.8 Cg_endo -69.72 150.33 68.34 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.725 2.284 . . . . 0.0 112.336 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -68.29 -30.99 70.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 40.1 m-20 -88.5 7.19 34.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -40.21 142.56 0.71 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.604 0.716 . . . . 0.0 111.056 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 130.66 19.74 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.704 2.269 . . . . 0.0 112.345 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 19.4 t -51.7 121.05 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 106.79 15.84 15.63 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.508 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 90.5 m -78.11 140.67 39.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.782 0.325 . . . . 0.0 111.166 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.4 p -79.98 110.21 15.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 57.6 t -85.09 -73.05 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.118 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.513 HG21 HG11 ' A' ' 106' ' ' VAL . 4.4 tp -138.51 142.67 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.191 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.434 ' N ' HG13 ' A' ' 34' ' ' ILE . 40.6 tt0 -115.63 105.48 12.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.951 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.569 ' CD1' HG21 ' A' ' 92' ' ' VAL . 18.7 mt -80.29 123.8 28.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -111.25 107.32 16.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -131.22 96.13 3.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.076 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 77.2 p -125.87 129.64 49.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -115.05 174.0 6.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.838 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -40.1 110.69 0.16 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -102.16 46.26 0.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.83 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.2 pt -93.75 107.23 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.142 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.82 -81.4 0.31 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.477 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.5 t -113.5 141.62 46.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.913 0.387 . . . . 0.0 110.849 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -84.22 79.83 9.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.76 126.2 25.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.089 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -97.84 85.13 3.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.555 HG21 ' HB1' ' A' ' 94' ' ' ALA . 14.1 mt -61.27 125.02 16.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.4 mmm-85 -105.11 125.94 51.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -89.89 127.87 36.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.952 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 7.6 pt -128.72 161.75 37.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.133 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -62.83 140.28 58.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -66.77 -150.93 0.15 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.501 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -104.48 152.48 22.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.755 0.312 . . . . 0.0 111.063 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 51.11 52.13 15.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.2 t -99.22 134.59 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.97 143.41 97.96 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.564 0.697 . . . . 0.0 111.115 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -42.77 3.04 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.644 2.23 . . . . 0.0 112.358 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -47.81 -53.06 16.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.094 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 94.1 m -59.74 -62.74 1.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.7 mtpp -39.21 -30.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -83.11 -50.93 7.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.501 HD22 ' O ' ' A' ' 79' ' ' SER . 76.8 mt -59.72 -52.8 63.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -99.21 132.31 44.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -104.2 117.43 34.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.108 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 30.7 tp -93.13 88.82 6.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.916 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -49.75 124.82 10.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -92.79 26.0 2.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.3 p -122.86 -28.71 4.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.171 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 29.9 p -126.32 -28.71 3.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.11 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.41 35.57 16.88 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.471 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.3 tp -112.59 132.18 55.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.784 0.326 . . . . 0.0 110.942 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 10.3 mm -83.78 136.2 23.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.162 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 40.2 p -139.86 174.99 9.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.088 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 93.5 t -100.92 111.16 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.148 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -82.99 -38.16 23.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.8 mtp85 -143.94 154.54 43.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.501 ' O ' HD22 ' A' ' 64' ' ' LEU . 4.0 m -44.11 155.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.8 mt -115.77 163.35 15.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -126.63 127.37 45.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.2 -41.53 16.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -50.11 -45.98 53.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -69.92 -64.86 0.8 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.735 HG21 ' CE1' ' A' ' 88' ' ' HIS . 7.4 t -124.54 136.98 54.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.12 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -96.47 -34.07 11.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.704 HG21 ' HE3' ' A' ' 89' ' ' LYS . 58.0 mt -120.69 147.67 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.735 ' CE1' HG21 ' A' ' 85' ' ' THR . 54.5 m-70 -127.46 115.48 18.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.704 ' HE3' HG21 ' A' ' 87' ' ' ILE . 0.9 OUTLIER -101.05 111.97 24.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 72.0 t -113.62 112.61 41.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.094 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 17.6 m -88.18 136.78 32.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.569 HG21 ' CD1' ' A' ' 36' ' ' LEU . 58.3 t -124.46 129.54 73.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 59.1 mt -114.98 131.91 56.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.555 ' HB1' HG21 ' A' ' 49' ' ' ILE . . . -115.38 108.38 16.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.082 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.3 t -111.16 127.22 55.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -119.28 -52.3 2.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -178.06 40.16 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.545 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.9 m -120.23 175.23 6.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.853 0.359 . . . . 0.0 110.808 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.9 p -58.25 -55.81 30.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 15.4 p -132.96 135.78 26.5 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.604 0.716 . . . . 0.0 111.152 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 163.16 39.32 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.698 2.266 . . . . 0.0 112.325 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -83.7 147.57 27.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.096 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 -114.95 136.41 53.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -143.44 123.62 13.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.162 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 54.7 m -102.09 137.63 40.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.152 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.513 HG11 HG21 ' A' ' 34' ' ' ILE . 77.8 t -120.49 112.74 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.171 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.4 m -74.92 118.59 18.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.117 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 60.7 mt -116.08 110.19 30.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.19 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.51 ' N ' ' ND2' ' A' ' 109' ' ' ASN . 0.8 OUTLIER -86.68 149.74 24.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 65.7 t -113.62 113.68 44.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 40.2 p -102.46 170.85 7.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -101.36 144.66 29.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.886 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 31.0 m -92.55 -21.54 6.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.123 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 42.2 m-20 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.0 p -137.19 145.41 43.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.876 0.37 . . . . 0.0 110.814 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.7 p -78.68 137.73 37.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.882 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.7 -50.31 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.498 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 t -71.59 142.2 50.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.882 0.372 . . . . 0.0 110.872 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -80.81 -50.49 9.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.04 129.92 3.68 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.485 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -100.65 142.08 32.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.857 0.361 . . . . 0.0 110.908 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -95.73 161.16 14.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.415 ' O ' ' ND2' ' A' ' 10' ' ' ASN . 0.4 OUTLIER -95.95 54.65 1.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.919 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.7 ptt180 -157.98 143.91 12.59 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.634 0.731 . . . . 0.0 110.871 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 170.75 15.92 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.683 2.256 . . . . 0.0 112.323 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 93.3 t -148.79 130.78 5.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.898 ' CD2' ' HB2' ' A' ' 104' ' ' ALA . 22.9 m-85 -75.74 139.95 42.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.5 tptt -42.77 -47.73 5.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -151.38 116.24 5.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -42.88 -68.31 0.79 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.466 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -110.29 134.28 52.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.876 0.37 . . . . 0.0 110.908 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.5 t -146.05 143.91 21.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -109.5 131.24 55.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.9 m -121.95 147.19 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.524 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 7.0 p-80 -115.02 114.76 25.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.473 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 4.5 tt -139.19 136.52 18.16 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.651 0.739 . . . . 0.0 111.113 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.473 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.8 Cg_endo -69.82 155.6 65.32 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.68 2.253 . . . . 0.0 112.367 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -70.58 -37.72 73.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 27' ' ' ALA . 60.5 t30 -78.09 -0.4 27.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 26' ' ' ASN . . . -36.51 143.71 0.3 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.63 0.729 . . . . 0.0 111.049 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 130.85 20.09 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.682 2.255 . . . . 0.0 112.372 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.5 t -54.82 124.66 8.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.84 -7.01 25.76 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.513 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 24.2 m -60.86 144.38 52.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.815 0.34 . . . . 0.0 111.128 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.7 p -85.17 107.83 17.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.849 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.412 HG21 ' HD2' ' A' ' 65' ' ' PHE . 38.9 t -72.77 -72.08 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.125 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.732 ' CG2' HD12 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -138.74 141.12 37.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.142 179.924 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.477 ' N ' HD13 ' A' ' 34' ' ' ILE . 23.8 tp60 -120.19 123.93 44.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.541 HD22 ' CD1' ' A' ' 14' ' ' PHE . 54.7 mt -101.53 124.05 46.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 74.0 m-70 -106.34 106.64 17.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -119.82 111.11 17.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 71.9 p -135.05 115.1 13.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.176 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -77.76 -42.12 35.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -129.59 119.97 24.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.095 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.29 -2.05 21.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.83 HD12 ' O ' ' A' ' 43' ' ' ILE . 2.6 pp -86.59 118.14 32.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.84 -89.09 0.76 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.484 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 83.5 p -121.66 -179.3 4.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.813 0.34 . . . . 0.0 110.877 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -153.81 165.86 34.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -93.78 169.25 10.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -103.78 100.16 9.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.881 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.801 HG23 ' O ' ' A' ' 95' ' ' SER . 95.6 mt -85.06 126.91 40.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.097 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.6 mtm180 -92.89 133.47 36.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.576 ' CD1' ' HA3' ' A' ' 72' ' ' GLY . 77.2 m-85 -101.46 111.88 24.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 44.2 pt -110.74 174.83 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.121 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.475 ' CE1' ' HG2' ' A' ' 62' ' ' LYS . 54.1 m-85 -76.94 140.31 40.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -60.36 -154.91 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.457 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -104.49 154.1 20.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.773 0.32 . . . . 0.0 111.083 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 48.57 47.31 20.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 96.5 t -101.8 117.71 47.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.17 147.86 64.36 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.546 0.688 . . . . 0.0 111.148 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -42.54 3.32 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.668 2.246 . . . . 0.0 112.381 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -47.54 -47.42 28.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 99.8 m -63.41 -31.39 72.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.121 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.475 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 9.9 mtmp? -79.25 -16.83 55.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -76.07 -59.04 2.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.44 ' CD2' ' HA ' ' A' ' 80' ' ' LEU . 9.5 mp -60.64 -48.4 81.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.476 ' CZ ' HD22 ' A' ' 80' ' ' LEU . 78.9 m-85 -101.16 138.32 38.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -118.85 125.36 49.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.117 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.3 tp -99.51 124.33 44.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -78.99 115.37 18.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -79.04 9.25 4.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 46.9 p -116.21 -28.67 6.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.145 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 82.5 p -130.5 16.5 5.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.576 ' HA3' ' CD1' ' A' ' 51' ' ' TYR . . . 38.54 41.69 1.21 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.502 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.5 tp -115.11 131.21 57.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.8 0.333 . . . . 0.0 110.903 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.732 HD12 ' CG2' ' A' ' 34' ' ' ILE . 65.9 mt -98.91 119.15 46.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.199 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.3 p -118.1 162.6 17.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 86.0 t -79.86 107.03 11.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -69.45 -52.67 24.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 50.9 mtp180 -141.13 170.17 16.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.8 p -47.11 153.56 0.44 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.476 HD22 ' CZ ' ' A' ' 65' ' ' PHE . 6.2 mt -105.88 150.0 26.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.954 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -120.65 152.88 37.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.822 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 84' ' ' GLU . 14.0 mtm105 -116.68 -40.15 3.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -40.57 -26.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 82' ' ' ARG . 0.6 OUTLIER -98.96 -59.58 1.7 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.591 HG21 ' CE1' ' A' ' 88' ' ' HIS . 14.6 t -137.84 137.38 38.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -98.8 -43.42 6.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 47.4 mm -100.44 138.84 23.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.151 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.591 ' CE1' HG21 ' A' ' 85' ' ' THR . 58.2 m-70 -123.78 116.76 23.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.787 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.1 mttm -108.83 105.32 14.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 67.3 t -110.42 131.69 60.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 45.3 m -108.55 113.63 26.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.144 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 38.2 t -98.7 143.72 12.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 74.0 mt -109.95 155.53 21.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -141.5 123.4 15.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.087 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.801 ' O ' HG23 ' A' ' 49' ' ' ILE . 10.4 t -125.95 150.25 48.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -132.99 30.69 3.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.855 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 136.5 -99.53 0.31 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 99' ' ' SER . 44.7 m -106.7 -49.4 3.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.848 0.356 . . . . 0.0 110.892 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 98' ' ' SER . 85.1 p -34.48 130.93 0.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 69.4 p -44.15 142.69 2.1 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.567 0.698 . . . . 0.0 111.178 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 121.3 8.0 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.641 2.227 . . . . 0.0 112.343 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.14 141.41 57.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.098 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 12.8 ptt-85 -111.37 149.34 31.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.828 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.898 ' HB2' ' CD2' ' A' ' 14' ' ' PHE . . . -149.64 122.07 8.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.071 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 87.4 m -88.83 135.53 33.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 88.0 t -125.46 132.57 70.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.156 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.8 m -106.76 114.75 29.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 19.7 mt -106.03 131.69 54.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.173 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -114.78 133.45 55.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 48.4 t -98.45 115.21 38.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 44.4 p -100.56 154.28 18.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.173 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -58.24 179.67 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.833 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.444 ' CG1' ' HB2' ' A' ' 24' ' ' PRO . 0.6 OUTLIER -140.19 119.81 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 8.5 p30 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.5 m -89.76 -61.01 1.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.881 0.372 . . . . 0.0 110.921 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.9 m -43.51 162.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.54 -84.94 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.474 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.2 t 41.22 44.98 2.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.901 0.381 . . . . 0.0 110.863 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.5 p -129.42 124.91 35.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.834 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.13 53.03 0.51 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.459 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -40.73 -57.1 2.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.81 0.338 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 42.57 40.55 1.99 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.823 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -122.34 112.75 18.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.934 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.5 ttp180 -94.6 139.19 22.21 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.597 0.713 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.443 ' HD3' ' CG ' ' A' ' 96' ' ' ASP . 53.1 Cg_endo -69.81 95.83 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.707 2.271 . . . . 0.0 112.302 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.5 m -100.26 126.71 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.123 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 1.024 ' CD1' HD22 ' A' ' 36' ' ' LEU . 79.7 m-85 -63.69 165.86 7.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.9 ptmt -66.39 -51.04 61.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -132.88 127.45 34.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -38.57 -61.43 1.29 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.461 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.95 159.74 39.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.845 0.355 . . . . 0.0 110.896 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 60.8 t -150.01 133.98 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.105 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -101.14 135.1 43.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 32.4 m -132.38 165.81 31.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 -133.21 115.03 14.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.821 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.466 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 6.9 tt -127.76 136.23 28.67 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.644 0.735 . . . . 0.0 111.153 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.466 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.5 Cg_endo -69.81 137.35 35.12 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.648 2.232 . . . . 0.0 112.36 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -50.99 -40.52 58.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.474 ' HB2' HG11 ' A' ' 113' ' ' VAL . 3.7 m120 -85.65 24.22 1.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.46 ' HB2' ' O ' ' A' ' 24' ' ' PRO . . . -59.64 143.28 86.78 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.579 0.704 . . . . 0.0 111.109 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 128.07 15.5 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.669 2.246 . . . . 0.0 112.337 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.551 HG13 ' O ' ' A' ' 76' ' ' VAL . 94.4 t -53.19 122.3 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.37 15.83 10.99 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.514 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 24.8 m -87.45 116.72 25.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.806 0.336 . . . . 0.0 111.116 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.432 ' HA ' HG22 ' A' ' 75' ' ' THR . 78.3 p -58.67 106.48 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 65.5 t -78.17 -61.32 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.107 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.522 ' CG2' HD12 ' A' ' 74' ' ' ILE . 6.4 tp -144.71 146.55 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.444 ' N ' HG13 ' A' ' 34' ' ' ILE . 20.1 tt0 -128.44 125.64 38.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 1.024 HD22 ' CD1' ' A' ' 14' ' ' PHE . 19.9 mt -100.55 127.92 46.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 63.2 t60 -112.71 105.79 14.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -129.99 103.7 6.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 32.6 p -123.88 146.47 48.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -136.15 150.42 49.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.837 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -41.91 114.21 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.099 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -84.68 33.59 0.52 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.848 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.73 HD12 ' O ' ' A' ' 43' ' ' ILE . 2.0 pp -105.45 118.86 53.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.144 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 123.72 -73.39 0.4 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.474 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.7 t -138.15 119.49 14.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.87 0.367 . . . . 0.0 110.847 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -63.86 119.58 10.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -123.14 139.83 53.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -105.32 93.92 4.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 75.1 mt -62.88 124.53 17.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.115 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.49 ' CD ' ' HB3' ' A' ' 69' ' ' ASN . 13.1 tpp180 -108.86 120.38 42.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.45 ' O ' ' CG ' ' A' ' 69' ' ' ASN . 41.5 m-85 -93.91 120.5 34.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.964 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.626 HG22 ' OD1' ' A' ' 69' ' ' ASN . 0.2 OUTLIER -136.34 167.24 24.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.148 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -68.11 147.57 52.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -65.39 -155.29 0.22 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.495 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.72 156.05 17.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.723 0.296 . . . . 0.0 111.075 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 60.37 42.0 15.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 44.5 t -100.75 130.75 49.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.082 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.79 149.36 87.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.612 0.72 . . . . 0.0 111.06 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -49.86 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.659 2.239 . . . . 0.0 112.354 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -40.9 -47.3 2.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.101 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.576 HG21 HG22 ' A' ' 90' ' ' VAL . 84.9 m -57.57 -46.02 84.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.16 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -58.91 -61.97 2.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 43.9 ttt180 -37.91 -48.19 1.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.8 mp -67.17 -58.38 4.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.741 ' CZ ' HD22 ' A' ' 80' ' ' LEU . 75.8 m-85 -105.03 122.56 46.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -99.78 139.63 35.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.097 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 50.2 tp -114.03 135.03 54.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 45.4 m-20 -100.36 143.45 30.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.76 HD22 ' N ' ' A' ' 69' ' ' ASN . 0.6 OUTLIER -98.59 -4.98 32.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.8 p -105.19 -24.76 12.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 80.2 p -122.39 -14.91 7.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.089 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 54.84 39.58 68.57 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.438 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.427 HD13 ' HB2' ' A' ' 35' ' ' GLN . 14.8 tp -120.95 127.93 52.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.8 0.333 . . . . 0.0 110.944 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.522 HD12 ' CG2' ' A' ' 34' ' ' ILE . 55.0 mt -94.49 124.05 46.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.432 HG22 ' HA ' ' A' ' 32' ' ' SER . 20.1 p -125.99 159.9 31.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.158 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.551 ' O ' HG13 ' A' ' 29' ' ' VAL . 95.2 t -72.19 105.64 2.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.127 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -80.06 -44.37 20.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 76.8 mtt-85 -136.47 164.11 28.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.3 t -48.92 153.79 0.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.741 HD22 ' CZ ' ' A' ' 65' ' ' PHE . 3.7 mt -108.46 142.4 38.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -112.08 119.98 40.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -82.95 -51.35 7.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.818 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -42.1 -47.67 4.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -69.09 -63.39 1.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.7 HG21 ' CE1' ' A' ' 88' ' ' HIS . 11.9 t -130.72 128.41 40.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -88.46 -48.16 7.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.079 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 21.9 mt -108.13 133.77 52.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.7 ' CE1' HG21 ' A' ' 85' ' ' THR . 26.5 m-70 -110.58 116.18 30.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.3 mmtp -101.32 108.53 20.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.576 HG22 HG21 ' A' ' 61' ' ' THR . 57.5 t -122.21 127.01 75.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.108 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 11.7 m -106.75 131.59 53.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 88.6 t -105.96 145.0 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 93' ' ' LEU . 13.5 mt -116.42 132.71 56.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -118.87 117.96 30.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.08 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 45.8 t -118.69 132.94 56.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.443 ' CG ' ' HD3' ' A' ' 12' ' ' PRO . 17.2 p-10 -109.62 -50.6 2.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.864 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -168.34 -122.04 0.6 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.453 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.1 m -80.27 43.98 0.66 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.923 0.392 . . . . 0.0 110.884 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 100' ' ' THR . 36.0 m -139.92 122.84 16.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.85 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.595 HG23 ' HD2' ' A' ' 101' ' ' PRO . 88.2 m -36.13 137.83 0.47 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.574 0.702 . . . . 0.0 111.126 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.595 ' HD2' HG23 ' A' ' 100' ' ' THR . 53.9 Cg_endo -69.74 140.09 41.89 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.679 2.253 . . . . 0.0 112.344 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -87.33 156.93 19.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.126 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 5.1 ptp85 -131.39 145.49 51.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -139.31 120.29 14.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.099 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 62.3 m -83.23 125.69 31.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.191 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.451 HG11 HG21 ' A' ' 34' ' ' ILE . 99.3 t -117.71 121.62 67.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.094 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 12.0 m -98.3 120.95 39.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.085 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 27.6 mt -114.94 107.31 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -89.53 146.82 24.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 76.2 t -109.85 117.15 54.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 21.5 p -96.69 171.75 8.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.193 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -81.0 157.98 25.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 113' ' ' VAL . 33.0 m -120.89 114.65 44.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 3.3 t30 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -109.16 102.78 11.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.875 0.369 . . . . 0.0 110.876 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.6 m -161.64 167.38 25.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.34 -68.89 0.1 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.3 m 55.54 42.9 29.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.945 0.402 . . . . 0.0 110.866 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.7 m -49.89 169.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.856 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.02 -71.43 0.42 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.52 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -86.14 144.14 27.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.784 0.326 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -92.28 39.46 1.02 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 64.69 43.91 4.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -140.59 144.63 37.17 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.601 0.715 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -164.22 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.657 2.238 . . . . 0.0 112.331 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.8 p -173.12 131.1 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.507 ' CD1' HD23 ' A' ' 36' ' ' LEU . 15.7 m-85 -83.32 121.92 27.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 14' ' ' PHE . 25.5 ttmt -37.07 -53.72 0.99 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -135.76 126.04 26.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.51 -60.1 8.77 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.497 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -112.75 128.92 56.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.871 0.367 . . . . 0.0 110.875 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.6 t -134.59 117.4 23.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -89.62 126.4 35.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.6 m -118.14 153.75 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.525 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 27.9 p-80 -117.4 113.92 22.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.468 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 0.7 OUTLIER -140.39 138.58 19.14 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.634 0.73 . . . . 0.0 111.141 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.468 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 54.0 Cg_endo -69.75 151.0 68.99 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.644 2.23 . . . . 0.0 112.386 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.455 ' HB3' ' CG1' ' A' ' 110' ' ' VAL . 21.3 pt-20 -64.83 -32.96 74.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.435 ' CG ' ' O ' ' A' ' 26' ' ' ASN . 31.2 t30 -94.19 27.67 2.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.937 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.414 ' CB ' HD11 ' A' ' 23' ' ' ILE . . . -58.19 144.08 77.6 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.613 0.72 . . . . 0.0 111.11 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 133.22 25.04 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.671 2.247 . . . . 0.0 112.337 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.464 HG13 ' O ' ' A' ' 76' ' ' VAL . 94.6 t -55.53 129.1 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.108 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 107.77 2.83 34.62 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.527 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 25.5 m -78.65 128.01 32.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.786 0.327 . . . . 0.0 111.188 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.89 114.48 8.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.6 t -85.54 -67.38 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.157 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.7 tp -141.64 140.67 30.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.13 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.528 ' HB2' HD13 ' A' ' 73' ' ' LEU . 31.4 tt0 -131.37 129.06 40.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.507 HD23 ' CD1' ' A' ' 14' ' ' PHE . 5.0 mp -98.23 148.93 23.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.952 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -135.36 106.53 6.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -126.68 127.79 45.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 40' ' ' ASP . 77.2 p -136.22 108.22 7.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 39' ' ' THR . 28.4 t0 -36.51 -56.59 0.8 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -133.97 111.16 10.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -38.82 -34.79 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.2 tp -87.24 99.31 8.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.101 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 49.75 99.52 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.535 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.1 t -98.27 99.12 10.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.858 0.361 . . . . 0.0 110.817 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -89.7 70.65 7.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -161.88 117.31 2.0 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.9 mp0 -75.12 86.32 2.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 80.6 mt -68.82 113.98 5.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.158 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 22.1 mmt-85 -98.34 127.37 44.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.425 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 9.9 m-85 -102.05 141.68 34.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 27.2 pt -141.33 178.15 3.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.106 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.539 ' CE1' ' HG2' ' A' ' 62' ' ' LYS . 42.4 m-85 -79.38 139.13 37.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -69.11 -176.4 13.22 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.467 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.58 154.85 21.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.779 0.323 . . . . 0.0 111.073 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 55.34 52.28 11.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 85.1 t -113.9 112.67 41.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -46.67 144.51 3.51 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.552 0.691 . . . . 0.0 111.096 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -30.03 22.78 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.67 2.247 . . . . 0.0 112.366 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.24 -36.0 82.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.067 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.568 HG21 HG22 ' A' ' 90' ' ' VAL . 24.7 m -70.2 -43.23 71.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.158 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.539 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 36.0 mtmt -67.52 -30.98 70.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -76.84 -38.06 54.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 43.8 mt -76.61 -34.43 58.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.946 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -112.64 125.85 54.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.56 130.37 44.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.133 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 41.1 tp -109.87 137.2 47.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -100.97 118.2 36.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.425 ' ND2' ' O ' ' A' ' 51' ' ' TYR . 1.0 OUTLIER -82.06 2.78 29.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.4 p -113.6 -23.6 9.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.169 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 63.8 p -124.64 -12.02 7.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 56.74 39.48 87.0 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.481 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.528 HD13 ' HB2' ' A' ' 35' ' ' GLN . 20.8 tp -120.62 131.69 54.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.773 0.321 . . . . 0.0 110.883 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 70.4 mt -101.72 128.64 53.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.14 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 31.8 p -129.2 159.48 35.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.464 ' O ' HG13 ' A' ' 29' ' ' VAL . 97.7 t -72.31 106.17 2.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -79.06 -35.45 42.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 33.7 mtt-85 -145.9 164.83 30.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.9 t -58.5 146.35 35.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.816 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.1 mt -109.92 152.72 25.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -130.65 158.37 40.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.835 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.424 ' O ' ' N ' ' A' ' 84' ' ' GLU . 11.1 mtt180 -100.4 -38.51 8.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -41.95 -24.86 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 82' ' ' ARG . 2.0 tm-20 -99.35 -65.34 0.97 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.675 HG21 ' CE1' ' A' ' 88' ' ' HIS . 10.4 t -137.69 121.32 17.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.146 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -78.39 -44.44 24.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.118 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 88.8 mt -109.91 138.52 37.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.675 ' CE1' HG21 ' A' ' 85' ' ' THR . 25.1 m-70 -114.93 118.42 33.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -103.14 105.08 15.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.568 HG22 HG21 ' A' ' 61' ' ' THR . 57.3 t -114.54 129.78 70.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.124 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 14.8 m -113.47 129.53 56.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 59.8 t -106.93 145.77 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.629 HD21 ' HD3' ' A' ' 103' ' ' ARG . 53.9 mt -119.47 129.23 54.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -120.84 119.31 32.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 35.4 t -120.4 130.2 54.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.828 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -122.13 -55.21 1.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.894 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -172.72 48.5 0.17 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.529 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.3 t -134.02 172.02 13.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.872 0.368 . . . . 0.0 110.878 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 29.3 t -62.34 -61.94 2.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.674 HG23 ' HD2' ' A' ' 101' ' ' PRO . 83.4 m -110.49 139.19 21.3 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.576 0.703 . . . . 0.0 111.162 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.674 ' HD2' HG23 ' A' ' 100' ' ' THR . 53.4 Cg_endo -69.76 177.51 5.51 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.695 2.263 . . . . 0.0 112.295 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -98.43 129.17 45.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.629 ' HD3' HD21 ' A' ' 93' ' ' LEU . 12.2 mmt85 -90.62 144.48 25.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.456 ' HB2' ' CD2' ' A' ' 14' ' ' PHE . . . -145.64 118.39 8.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.093 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 26.1 m -102.84 132.91 48.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.14 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 47.7 t -126.24 122.74 62.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.074 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 25.5 m -95.1 107.81 19.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 41.2 mt -101.42 102.54 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -85.11 129.16 34.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.455 ' CG1' ' HB3' ' A' ' 25' ' ' GLU . 92.4 t -95.76 118.23 41.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.127 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 68.2 p -97.13 155.96 16.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.08 173.92 3.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.461 ' CG1' ' HB2' ' A' ' 24' ' ' PRO . 2.8 m -146.32 120.11 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.125 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 26.5 m-20 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.918 179.969 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.7 p -126.83 172.81 10.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.856 0.36 . . . . 0.0 110.868 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.0 t -80.16 111.57 16.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.821 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.24 156.66 15.86 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.437 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.9 p -92.89 2.33 56.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.881 0.372 . . . . 0.0 110.848 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 t -127.07 88.93 2.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.4 101.3 0.37 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.515 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.0 p-10 -142.71 151.16 41.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.85 0.357 . . . . 0.0 110.846 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -75.5 -59.82 2.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 47.92 38.49 9.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -144.67 150.51 47.21 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.598 0.714 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 106.1 1.61 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.695 2.263 . . . . 0.0 112.34 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 84.1 t -85.93 137.01 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.77 ' CD2' ' HB2' ' A' ' 104' ' ' ALA . 7.7 m-85 -86.18 149.29 25.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.7 ttpt -63.75 -50.93 67.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.8 mp0 -138.58 110.42 7.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -47.55 -54.71 10.34 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.49 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -120.03 136.91 54.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.84 0.353 . . . . 0.0 110.917 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 52.1 t -147.13 125.95 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -95.14 132.66 39.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.1 m -128.46 149.26 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -112.3 105.79 14.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.478 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 8.8 tt -120.75 136.04 25.16 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.679 0.752 . . . . 0.0 111.103 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.688 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 53.4 Cg_endo -69.78 162.46 41.98 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.699 2.266 . . . . 0.0 112.318 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -82.7 -19.15 38.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.879 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.483 ' HB3' HG11 ' A' ' 113' ' ' VAL . 33.0 t30 -105.19 19.3 20.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.688 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -56.58 143.88 66.18 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.593 0.711 . . . . 0.0 111.089 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 149.24 66.93 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.686 2.257 . . . . 0.0 112.32 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.4 t -69.85 117.25 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.065 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 118.62 1.47 15.3 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.7 m -67.17 153.19 44.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.811 0.339 . . . . 0.0 111.1 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.9 p -93.26 121.24 34.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 89.7 t -91.43 -70.18 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.4 HG13 ' N ' ' A' ' 35' ' ' GLN . 4.3 tp -136.91 141.32 40.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.4 ' N ' HG13 ' A' ' 34' ' ' ILE . 23.2 tt0 -113.08 97.9 6.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.556 HD12 HG21 ' A' ' 92' ' ' VAL . 34.1 mt -88.51 136.76 32.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -136.14 127.74 28.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -132.58 133.19 43.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.068 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.7 p -128.92 161.38 30.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -143.95 152.87 41.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.99 76.12 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -103.94 92.24 4.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.0 pt -98.65 93.11 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 134.21 -56.42 0.72 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.4 m -125.66 118.36 25.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.881 0.372 . . . . 0.0 110.872 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -71.82 133.15 45.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 49' ' ' ILE . . . -103.39 92.31 4.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.095 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -53.0 87.76 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 47' ' ' ALA . 70.0 mt -61.95 118.47 4.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.143 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.446 ' CD ' ' O ' ' A' ' 69' ' ' ASN . 17.7 mmt85 -96.28 143.44 27.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.526 ' CD1' ' CA ' ' A' ' 72' ' ' GLY . 65.6 m-85 -113.28 113.85 25.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 20.4 pt -120.58 160.47 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.113 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -67.26 131.71 46.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.498 ' HA2' HD23 ' A' ' 93' ' ' LEU . . . -57.94 -166.96 0.12 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.14 155.81 16.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.748 0.309 . . . . 0.0 111.086 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 60.7 42.11 14.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 93.0 t -106.91 117.47 52.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.119 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -48.04 146.56 4.17 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.534 0.683 . . . . 0.0 111.141 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -36.41 10.83 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.677 2.252 . . . . 0.0 112.34 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.98 -47.58 84.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.075 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 43.3 m -59.03 -41.65 88.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.7 mtmt -68.2 -27.21 66.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.862 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 40.5 mtm180 -74.06 -52.41 12.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.672 HD12 HD23 ' A' ' 80' ' ' LEU . 3.9 mm? -59.5 -51.34 70.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.953 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.416 ' HB3' ' CG2' ' A' ' 74' ' ' ILE . 73.8 m-85 -104.47 134.49 47.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.443 ' HB2' HE21 ' A' ' 77' ' ' GLN . . . -107.67 130.98 54.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.1 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 30.9 tp -93.93 121.91 35.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -82.81 111.02 18.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.446 ' O ' ' CD ' ' A' ' 50' ' ' ARG . 1.2 m120 -83.64 18.92 1.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 27.3 p -117.66 -28.88 5.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 34.4 p -126.53 -26.11 3.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.136 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.526 ' CA ' ' CD1' ' A' ' 51' ' ' TYR . . . 89.46 25.53 27.91 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.523 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.834 ' CD2' HG23 ' A' ' 75' ' ' THR . 7.1 tt -110.87 149.0 31.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.773 0.32 . . . . 0.0 110.934 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.416 ' CG2' ' HB3' ' A' ' 65' ' ' PHE . 99.6 mt -111.9 123.86 68.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.163 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.834 HG23 ' CD2' ' A' ' 73' ' ' LEU . 5.2 p -119.27 172.45 7.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 47.4 t -80.52 112.96 19.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.443 HE21 ' HB2' ' A' ' 66' ' ' ALA . 23.8 tt0 -78.02 -40.13 39.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.958 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.4 ' HG3' ' C ' ' A' ' 77' ' ' GLN . 61.1 mtt180 -151.21 173.51 14.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.4 t -58.72 134.31 56.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.672 HD23 HD12 ' A' ' 64' ' ' LEU . 3.6 mt -89.96 155.77 18.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.931 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -122.13 114.74 21.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.811 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -72.65 -49.17 33.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -44.92 -34.85 2.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -79.38 -63.76 1.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.597 HG21 ' CE1' ' A' ' 88' ' ' HIS . 7.5 t -131.58 133.39 44.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.121 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -97.51 -29.56 13.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 47.4 mt -124.27 132.42 71.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.597 ' CE1' HG21 ' A' ' 85' ' ' THR . 34.8 m-70 -112.36 145.19 40.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -126.68 108.69 11.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.956 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 50.4 t -121.88 138.57 51.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.161 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 23.0 m -119.37 118.3 30.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.556 HG21 HD12 ' A' ' 36' ' ' LEU . 49.3 t -99.46 107.78 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.717 HD12 ' HG2' ' A' ' 101' ' ' PRO . 4.2 mm? -84.44 142.7 29.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -118.48 112.83 20.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.3 t -129.64 137.24 50.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.873 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -133.14 1.36 3.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.833 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 128.51 47.98 0.16 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.478 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 56.8 m -152.06 -175.04 5.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.929 0.395 . . . . 0.0 110.817 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 100' ' ' THR . 17.8 t -51.84 -175.98 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.881 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.566 HG23 ' HD2' ' A' ' 101' ' ' PRO . 52.4 m -34.08 136.52 0.34 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.639 0.733 . . . . 0.0 111.15 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.717 ' HG2' HD12 ' A' ' 93' ' ' LEU . 53.8 Cg_endo -69.79 163.65 37.49 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.72 2.28 . . . . 0.0 112.353 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.51 ' O ' HD13 ' A' ' 93' ' ' LEU . . . -68.47 136.96 54.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.08 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 24.6 mtt180 -97.75 124.64 42.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.926 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.77 ' HB2' ' CD2' ' A' ' 14' ' ' PHE . . . -135.18 116.1 14.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.108 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 88.6 m -95.55 137.75 34.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 81.3 t -130.1 102.92 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 6.5 m -72.16 128.32 35.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 33.6 mt -119.84 101.55 11.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -84.76 133.41 34.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 86.5 t -93.58 121.49 44.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.098 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 72.3 p -107.12 147.84 29.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.15 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -66.61 160.27 25.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.483 HG11 ' HB3' ' A' ' 26' ' ' ASN . 15.4 m -118.8 -22.43 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.947 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -85.98 159.39 19.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.856 0.36 . . . . 0.0 110.854 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 t -86.64 42.74 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.83 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.77 163.38 23.56 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.512 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.7 t -106.37 164.05 12.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.917 0.389 . . . . 0.0 110.83 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.3 m -132.06 169.58 16.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.18 76.24 0.61 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.481 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -143.66 110.43 5.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.84 0.352 . . . . 0.0 110.885 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.6 157.32 38.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 42.0 m-20 -95.04 30.4 2.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -82.06 138.67 45.91 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.594 0.711 . . . . 0.0 110.863 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 127.15 14.19 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.685 2.256 . . . . 0.0 112.37 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.2 p -104.52 126.43 59.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.473 ' CZ ' ' HB2' ' A' ' 94' ' ' ALA . 22.7 m-85 -75.7 117.46 17.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 14' ' ' PHE . 49.9 tttt -36.14 -53.87 0.79 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.406 ' HB3' ' CG2' ' A' ' 19' ' ' VAL . 6.8 mt-10 -127.8 126.53 41.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.09 -70.32 1.27 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.464 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -105.59 120.15 40.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.822 0.344 . . . . 0.0 110.929 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.406 ' CG2' ' HB3' ' A' ' 16' ' ' GLU . 20.5 t -131.94 135.88 57.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -106.22 127.68 53.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.543 HG21 ' CG1' ' A' ' 33' ' ' VAL . 18.5 m -127.54 147.74 32.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.496 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 27.0 p-80 -110.96 116.54 31.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.842 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.468 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 2.8 tt -134.05 136.94 27.18 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.658 0.742 . . . . 0.0 111.119 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.468 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.6 Cg_endo -69.74 144.4 54.01 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.697 2.264 . . . . 0.0 112.327 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -59.36 -35.25 73.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.781 ' HB2' HG21 ' A' ' 113' ' ' VAL . 39.1 t30 -91.15 29.4 1.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.27 143.96 97.59 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.569 0.7 . . . . 0.0 111.109 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 135.68 31.12 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.704 2.269 . . . . 0.0 112.293 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.451 HG13 ' O ' ' A' ' 76' ' ' VAL . 77.7 t -60.65 126.21 18.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.105 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.93 12.29 20.83 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.515 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 24.7 m -87.4 121.72 30.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.752 0.31 . . . . 0.0 111.127 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.747 ' HB2' HD11 ' A' ' 73' ' ' LEU . 97.6 p -70.69 105.03 3.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.543 ' CG1' HG21 ' A' ' 21' ' ' VAL . 93.8 t -73.9 -55.91 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.147 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.424 HG21 HG11 ' A' ' 106' ' ' VAL . 7.4 tt -145.03 142.94 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.114 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -114.25 107.01 15.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.51 HD12 HG21 ' A' ' 92' ' ' VAL . 97.0 mt -91.28 121.86 33.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.879 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -121.34 108.04 13.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -107.1 99.92 9.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.081 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.8 p -104.23 153.9 20.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -127.92 -53.72 1.31 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -160.39 171.35 19.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.075 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.57 70.38 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' A' ' 45' ' ' SER . 11.9 pt -98.91 89.36 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.9 85.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.455 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 43' ' ' ILE . 70.1 m 51.21 52.82 14.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.913 0.387 . . . . 0.0 110.926 -179.721 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -100.6 -43.97 6.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 49' ' ' ILE . . . -129.63 87.19 2.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -50.18 87.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.496 ' N ' ' O ' ' A' ' 47' ' ' ALA . 10.4 mt -55.78 112.47 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 45.2 mmm-85 -89.39 150.96 22.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -126.74 124.23 39.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.46 HD11 HD12 ' A' ' 93' ' ' LEU . 20.9 pt -133.24 171.2 18.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.107 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.401 ' CZ ' ' CB ' ' A' ' 67' ' ' LEU . 60.8 m-85 -78.84 144.23 35.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -73.5 -168.29 14.97 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.489 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -89.83 158.53 17.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.757 0.313 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 61.02 41.81 13.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 87.0 t -109.25 128.63 65.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.09 144.83 99.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.593 0.711 . . . . 0.0 111.139 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -44.09 2.25 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.664 2.243 . . . . 0.0 112.308 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.21 -48.02 62.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.129 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.474 HG21 HG22 ' A' ' 90' ' ' VAL . 40.8 m -59.79 -37.79 80.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.162 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -72.23 -29.6 64.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 41.2 mtm-85 -74.62 -49.82 20.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.435 HD22 ' O ' ' A' ' 79' ' ' SER . 91.3 mt -67.24 -36.87 82.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -109.2 121.79 45.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.36 137.29 32.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.401 ' CB ' ' CZ ' ' A' ' 53' ' ' PHE . 53.3 tp -111.8 132.31 54.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -95.59 138.57 33.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -101.71 5.03 41.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 43.1 p -117.79 -27.06 6.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.139 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.7 p -123.28 -18.35 6.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.127 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 63.41 23.98 67.14 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.462 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.747 HD11 ' HB2' ' A' ' 32' ' ' SER . 17.3 tp -96.99 121.91 39.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.788 0.328 . . . . 0.0 110.923 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 73.4 mt -89.35 125.91 42.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.523 HG22 ' HA ' ' A' ' 32' ' ' SER . 31.3 p -131.14 166.65 20.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.164 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.451 ' O ' HG13 ' A' ' 29' ' ' VAL . 91.8 t -78.2 126.08 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -96.13 -40.45 9.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.4 ' CB ' HH11 ' A' ' 78' ' ' ARG . 5.3 mtm105 -143.28 166.26 25.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.435 ' O ' HD22 ' A' ' 64' ' ' LEU . 48.8 p -50.47 151.31 2.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.8 mt -110.23 149.79 29.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.936 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -122.98 137.13 55.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 84' ' ' GLU . 51.1 ttp85 -100.22 -42.75 6.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -39.01 -28.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 82' ' ' ARG . 6.2 tp10 -96.02 -60.02 1.72 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.856 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 13.3 t -136.6 130.68 32.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.168 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -99.59 -9.82 22.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 86.9 mt -130.77 140.09 49.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' HIS . . . . . . . . . . . . . 28.7 m80 -126.51 133.18 51.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.9 mmtp -117.14 123.17 46.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.474 HG22 HG21 ' A' ' 61' ' ' THR . 44.1 t -134.65 137.81 50.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 16.8 m -118.42 137.25 53.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.51 HG21 HD12 ' A' ' 36' ' ' LEU . 87.2 t -112.67 146.75 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.46 HD12 HD11 ' A' ' 52' ' ' ILE . 76.4 mt -115.3 120.58 40.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.473 ' HB2' ' CZ ' ' A' ' 14' ' ' PHE . . . -103.36 135.17 45.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.063 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 27.5 t -145.79 132.67 20.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -130.67 -36.21 1.42 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -178.42 29.58 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.52 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.5 m -116.05 -177.15 3.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.884 0.373 . . . . 0.0 110.873 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.3 m -74.39 -75.09 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.6 p -101.93 139.03 19.97 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.619 0.723 . . . . 0.0 111.141 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 169.81 18.06 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.687 2.258 . . . . 0.0 112.343 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -85.9 156.83 20.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.077 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 29.7 mtp180 -119.65 133.22 55.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -145.99 115.02 6.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 86.5 m -85.43 140.57 30.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.424 HG11 HG21 ' A' ' 34' ' ' ILE . 89.1 t -124.87 108.21 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.124 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 6.4 m -83.63 112.37 19.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.088 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 16.1 mt -108.84 111.01 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.099 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 52.9 m-20 -84.35 136.58 33.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 78.5 t -102.81 124.15 56.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 81.1 p -111.58 175.73 5.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.167 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.6 -177.02 6.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.872 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.781 HG21 ' HB2' ' A' ' 26' ' ' ASN . 0.8 OUTLIER -141.65 118.52 7.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.15 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.2 p -113.25 -40.04 4.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.875 0.369 . . . . 0.0 110.848 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.3 m -49.49 132.55 20.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.65 48.84 0.71 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.469 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.8 m -98.29 157.1 16.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.861 0.362 . . . . 0.0 110.887 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.6 m -89.05 160.89 16.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.838 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.0 77.04 2.16 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.517 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -129.15 42.49 3.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.856 0.36 . . . . 0.0 110.883 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -52.59 147.68 8.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.821 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -170.21 132.29 1.04 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -90.0 143.68 30.27 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.571 0.7 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 141.47 45.58 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.745 2.297 . . . . 0.0 112.333 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -115.54 149.25 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.849 ' CE1' HD13 ' A' ' 36' ' ' LEU . 33.4 m-85 -97.56 137.01 37.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.6 ptmm? -58.6 -41.58 86.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -143.28 135.87 27.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -84.45 -98.82 0.64 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.507 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -76.29 115.88 16.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.856 0.36 . . . . 0.0 110.904 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 49.0 t -138.31 124.85 26.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.147 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -88.74 142.79 27.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.468 HG22 ' HA ' ' A' ' 108' ' ' ILE . 18.8 m -132.99 158.49 43.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.083 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.532 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 6.7 p-80 -121.44 117.35 26.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.879 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.469 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 10.6 tt -139.99 135.85 16.75 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.582 0.706 . . . . 0.0 111.132 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.473 ' HB2' ' CG1' ' A' ' 113' ' ' VAL . 54.0 Cg_endo -69.72 143.02 49.69 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.646 2.231 . . . . 0.0 112.345 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -60.01 -30.63 69.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -91.0 16.29 9.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.46 143.06 28.77 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.563 0.697 . . . . 0.0 111.12 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 133.25 25.15 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.674 2.249 . . . . 0.0 112.363 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.2 t -60.72 117.21 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.135 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 117.73 16.0 6.08 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.495 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.6 m -89.84 132.75 35.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.813 0.339 . . . . 0.0 111.165 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.832 ' HA ' HG22 ' A' ' 75' ' ' THR . 79.9 p -75.23 114.52 13.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 51.2 t -85.09 -62.64 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.159 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.5 HG21 HG11 ' A' ' 106' ' ' VAL . 17.2 tt -142.68 154.28 17.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -130.7 128.9 41.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.849 HD13 ' CE1' ' A' ' 14' ' ' PHE . 73.1 mt -107.42 139.31 42.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.511 ' CD2' HG23 ' A' ' 39' ' ' THR . 3.0 t-160 -127.34 118.78 24.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -122.95 95.82 4.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.511 HG23 ' CD2' ' A' ' 37' ' ' HIS . 70.7 p -91.98 116.03 28.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.01 -55.84 3.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -151.91 113.37 4.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.071 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -92.64 -53.78 4.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.406 HG22 ' H ' ' A' ' 43' ' ' ILE . 1.9 tt -74.69 96.17 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 134.47 -96.67 0.28 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.452 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.4 m -111.39 168.01 9.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.889 0.376 . . . . 0.0 110.864 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 29.8 t30 -140.98 116.44 10.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -93.15 165.58 12.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.109 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -102.71 91.08 4.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.931 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 58.9 mt -71.6 120.58 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.6 mmm-85 -97.86 139.04 34.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -111.2 105.11 13.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 19.9 pt -104.36 177.28 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.181 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -82.14 147.54 28.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -68.35 -167.64 4.43 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.469 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -99.86 152.51 20.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.778 0.323 . . . . 0.0 111.135 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 61.82 30.13 18.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.924 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.441 HG12 ' HE3' ' A' ' 62' ' ' LYS . 98.2 t -94.78 123.58 46.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.14 152.36 72.0 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.595 0.712 . . . . 0.0 111.085 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -50.75 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.682 2.255 . . . . 0.0 112.366 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -45.37 -34.64 3.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 97.0 m -71.66 -38.79 70.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.441 ' HE3' HG12 ' A' ' 57' ' ' VAL . 34.4 mttt -72.56 -31.21 65.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 -76.13 -64.82 1.01 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.481 HD22 ' O ' ' A' ' 79' ' ' SER . 77.6 mt -41.57 -46.23 3.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -95.54 175.23 6.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.426 ' HB2' ' HG3' ' A' ' 77' ' ' GLN . . . -139.78 112.61 8.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.071 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 50.7 tp -100.73 137.48 39.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -102.96 133.54 47.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -97.13 8.7 43.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 73.6 p -119.02 -26.72 5.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 21.0 p -122.46 -11.96 8.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.145 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 56.73 42.71 91.54 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.447 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.459 HD11 ' HB2' ' A' ' 32' ' ' SER . 11.9 tp -120.0 118.46 30.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.791 0.329 . . . . 0.0 110.934 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 73.0 mt -87.0 122.36 38.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.832 HG22 ' HA ' ' A' ' 32' ' ' SER . 39.7 p -133.28 156.28 47.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.136 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 96.4 t -59.2 134.37 24.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.426 ' HG3' ' HB2' ' A' ' 66' ' ' ALA . 4.7 tt0 -111.32 -26.98 8.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -159.88 160.72 33.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.481 ' O ' HD22 ' A' ' 64' ' ' LEU . 5.9 t -46.13 135.79 7.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.859 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.4 mt -92.66 155.42 17.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -126.96 114.44 17.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.481 ' CZ ' ' HB3' ' A' ' 82' ' ' ARG . 8.7 ttp-105 -78.98 -43.21 24.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -39.77 -44.19 1.54 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.9 tp10 -77.31 -56.57 4.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.462 ' O ' HG23 ' A' ' 85' ' ' THR . 11.8 t -139.39 124.05 18.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -91.12 -19.8 22.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.075 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 96.0 mt -124.61 116.65 48.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.456 ' NE2' HG21 ' A' ' 85' ' ' THR . 14.1 m80 -100.93 112.86 25.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.859 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 41.3 mttp -102.89 105.0 15.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 59.2 t -113.33 132.48 62.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.159 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 61.4 m -114.57 127.5 55.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.13 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 13.2 t -104.57 144.96 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.104 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 66.4 mt -111.2 143.39 42.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -120.19 109.59 15.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.153 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.3 t -117.16 105.52 12.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -109.71 23.59 14.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 103.18 45.46 1.58 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 59.7 p -132.43 161.57 33.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 0.0 110.875 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 62.9 m -43.38 -59.81 1.97 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.675 HG23 ' HD2' ' A' ' 101' ' ' PRO . 96.1 m -131.39 138.99 34.0 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.591 0.71 . . . . 0.0 111.119 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.675 ' HD2' HG23 ' A' ' 100' ' ' THR . 54.3 Cg_endo -69.69 173.56 10.72 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.689 2.259 . . . . 0.0 112.372 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -84.4 167.11 16.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.088 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 42.0 mtt180 -126.37 127.32 45.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -136.67 118.07 14.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 63.8 m -91.34 136.61 32.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.5 HG11 HG21 ' A' ' 34' ' ' ILE . 90.3 t -130.16 101.18 5.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 21.0 m -78.17 127.34 32.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.104 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.468 ' HA ' HG22 ' A' ' 21' ' ' VAL . 25.2 mt -112.95 118.6 58.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.135 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -96.46 116.16 28.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 75.0 t -84.31 120.27 34.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 62.6 p -104.89 162.87 12.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -77.72 170.31 16.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.473 ' CG1' ' HB2' ' A' ' 24' ' ' PRO . 5.1 m -132.91 116.45 26.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 9.1 m120 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.868 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.3 m -143.9 163.21 34.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.906 0.384 . . . . 0.0 110.862 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -106.69 100.29 9.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.41 114.6 0.61 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.472 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.3 t -145.31 152.35 39.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.883 0.373 . . . . 0.0 110.85 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -142.26 153.64 44.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.26 48.09 0.69 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.486 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -57.56 -59.13 5.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.869 0.366 . . . . 0.0 110.867 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -85.46 116.65 23.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -94.2 -32.39 13.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.3 ptp85 -99.45 143.62 26.76 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.616 0.722 . . . . 0.0 110.844 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 153.28 69.26 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.692 2.262 . . . . 0.0 112.36 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.0 p -133.33 137.48 53.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.801 ' CD1' HD22 ' A' ' 36' ' ' LEU . 11.7 m-85 -83.08 133.12 35.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -60.87 -42.31 97.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.851 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -139.25 130.76 27.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.846 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -95.43 -80.5 1.51 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.495 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -93.56 104.02 16.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.815 0.34 . . . . 0.0 110.889 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.519 HG12 ' N ' ' A' ' 20' ' ' GLU . 98.6 t -135.31 158.95 40.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.519 ' N ' HG12 ' A' ' 19' ' ' VAL . 1.4 mp0 -117.39 139.52 50.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.1 m -131.84 146.75 32.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.097 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.2 m80 -110.23 117.01 32.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.474 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 2.8 tt -143.45 136.54 13.87 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.659 0.743 . . . . 0.0 111.138 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.474 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.8 Cg_endo -69.74 148.58 65.54 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.697 2.264 . . . . 0.0 112.344 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -68.06 -19.73 64.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.917 ' HB3' HG11 ' A' ' 113' ' ' VAL . 14.1 t30 -92.7 -2.44 56.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 26' ' ' ASN . . . -35.17 143.83 0.23 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.559 0.695 . . . . 0.0 111.077 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 128.78 16.47 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.667 2.245 . . . . 0.0 112.34 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.4 t -56.88 131.93 20.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.74 9.86 36.66 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . 0.517 ' O ' HG22 ' A' ' 75' ' ' THR . 91.1 m -81.71 144.02 31.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.825 0.345 . . . . 0.0 111.132 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.613 ' HA ' HG22 ' A' ' 75' ' ' THR . 1.8 t -86.43 106.77 17.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.6 t -75.59 -68.09 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.108 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.456 HG13 ' N ' ' A' ' 35' ' ' GLN . 8.3 tp -133.54 149.75 31.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.456 ' N ' HG13 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -124.37 120.12 31.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.801 HD22 ' CD1' ' A' ' 14' ' ' PHE . 18.6 mt -102.62 116.51 32.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -113.37 105.92 13.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -109.66 147.72 32.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.101 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 19.4 p -118.78 151.92 37.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.804 ' HB2' HD11 ' A' ' 49' ' ' ILE . 3.5 t70 -147.03 -178.23 6.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.537 ' HB1' HG13 ' A' ' 43' ' ' ILE . . . -38.83 98.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.101 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -46.52 -30.81 2.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.911 HD12 ' O ' ' A' ' 43' ' ' ILE . 2.6 pp -59.04 116.13 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.182 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.35 87.87 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.501 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.3 t -130.48 80.62 1.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.913 0.387 . . . . 0.0 110.885 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 39.06 43.65 0.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -101.6 118.71 37.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -136.85 106.99 6.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.804 HD11 ' HB2' ' A' ' 40' ' ' ASP . 70.6 mt -84.27 117.07 29.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.074 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.406 ' HD3' ' C ' ' A' ' 49' ' ' ILE . 0.4 OUTLIER -114.97 157.06 23.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -118.55 137.18 53.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.444 HD11 HD12 ' A' ' 93' ' ' LEU . 2.8 pp -143.78 150.82 16.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.146 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.565 ' CZ ' ' HG2' ' A' ' 62' ' ' LYS . 63.2 m-85 -63.8 140.56 58.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.817 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -70.45 -157.44 2.1 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.479 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -95.08 159.99 14.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.733 0.302 . . . . 0.0 111.111 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 21.7 mp0 54.9 47.94 21.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.6 t -109.97 118.6 57.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.99 144.35 48.7 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.554 0.692 . . . . 0.0 111.091 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -49.36 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.649 2.232 . . . . 0.0 112.34 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -45.27 -47.75 12.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 54.2 m -54.16 -40.13 67.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.565 ' HG2' ' CZ ' ' A' ' 53' ' ' PHE . 16.1 mtmm -69.54 -22.88 63.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -78.11 -60.22 2.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.615 ' HB3' HD23 ' A' ' 80' ' ' LEU . 1.8 mm? -51.57 -53.19 40.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.562 ' CE1' HD22 ' A' ' 80' ' ' LEU . 36.8 m-85 -98.16 156.37 16.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.436 ' HB2' ' HB2' ' A' ' 77' ' ' GLN . . . -123.67 109.16 13.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.502 ' HB3' ' CE1' ' A' ' 53' ' ' PHE . 7.9 tp -92.85 110.8 22.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.881 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -66.92 118.85 10.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -82.6 17.07 1.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 33.4 m -121.72 -28.49 4.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.091 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 61.3 p -126.44 -25.64 3.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.154 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 84.56 17.64 63.62 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.5 tp -89.45 120.51 30.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.74 0.305 . . . . 0.0 110.935 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 75.9 mt -90.04 127.54 42.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.123 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.613 HG22 ' HA ' ' A' ' 32' ' ' SER . 15.2 p -137.86 145.05 41.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.187 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 71.9 t -61.57 115.03 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.139 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.436 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 9.4 tt0 -87.38 -42.93 12.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -140.57 153.71 46.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.549 ' O ' HD12 ' A' ' 64' ' ' LEU . 53.1 p -41.89 134.58 2.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.615 HD23 ' HB3' ' A' ' 64' ' ' LEU . 9.6 mt -87.15 159.33 18.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.19 113.84 13.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 82' ' ' ARG . 11.8 ttp-105 -75.84 -40.41 54.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -39.59 -29.16 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 82' ' ' ARG . 54.5 mm-40 -85.31 -62.14 1.6 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.726 HG21 ' CE1' ' A' ' 88' ' ' HIS . 13.2 t -139.06 137.36 36.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -85.44 -29.0 24.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.517 HG21 ' HE3' ' A' ' 89' ' ' LYS . 54.9 mt -122.8 147.83 26.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.133 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.726 ' CE1' HG21 ' A' ' 85' ' ' THR . 59.2 m-70 -127.47 120.9 29.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.517 ' HE3' HG21 ' A' ' 87' ' ' ILE . 0.6 OUTLIER -102.81 116.87 33.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 15.2 t -121.92 129.22 75.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.128 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 58.9 m -108.09 130.56 55.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.113 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 46.1 t -111.55 133.87 55.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.626 HD23 ' O ' ' A' ' 102' ' ' ALA . 80.5 mt -118.49 120.41 37.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -99.04 131.7 44.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 92.9 p -137.13 116.48 12.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -93.73 -51.56 4.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -160.28 -100.31 0.16 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.504 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.1 m -105.95 85.38 2.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.88 0.372 . . . . 0.0 110.845 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.4 t -174.05 158.18 3.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.865 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 39.1 m -66.65 130.33 94.07 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.624 0.725 . . . . 0.0 111.116 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 144.14 52.98 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.701 2.267 . . . . 0.0 112.314 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.626 ' O ' HD23 ' A' ' 93' ' ' LEU . . . -82.22 154.32 25.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.089 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.431 ' HB2' ' NH1' ' A' ' 103' ' ' ARG . 25.7 mtm105 -123.68 134.19 53.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.823 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -151.0 120.12 6.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.104 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 91.9 m -101.2 121.9 42.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.101 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 92.7 t -100.95 119.96 49.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.193 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 73.7 m -88.85 117.89 28.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.148 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 17.3 mt -109.97 110.1 30.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -85.38 129.82 34.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 72.3 t -94.97 120.48 44.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 30.5 p -107.08 149.67 27.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.128 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -66.88 159.28 28.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.917 HG11 ' HB3' ' A' ' 26' ' ' ASN . 16.9 m -113.5 -31.22 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.122 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 2.8 m120 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.6 t -105.92 -54.67 2.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.865 0.364 . . . . 0.0 110.839 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.1 m -45.77 103.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.856 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.61 96.99 0.3 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.486 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.1 m -132.61 163.11 29.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.908 0.385 . . . . 0.0 110.85 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.5 p -165.37 150.53 9.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.27 -132.86 4.18 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.478 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -158.52 142.91 15.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.799 0.333 . . . . 0.0 110.945 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -170.43 161.92 8.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -108.75 -20.83 12.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.1 ptt-85 -132.01 143.77 50.4 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.579 0.704 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 151.44 69.05 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.676 2.251 . . . . 0.0 112.337 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 37.1 t -122.64 141.12 44.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.629 ' CZ ' ' HB2' ' A' ' 94' ' ' ALA . 39.8 m-85 -88.37 166.43 14.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -62.87 -41.22 99.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -151.48 127.23 10.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -41.84 -45.77 4.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.47 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.524 ' N ' ' CD ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -143.94 137.91 28.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.862 0.363 . . . . 0.0 110.875 -179.882 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.7 t -122.92 140.98 44.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.097 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -108.86 110.26 21.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.932 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.484 HG21 ' CG1' ' A' ' 33' ' ' VAL . 34.0 m -105.05 157.95 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -124.63 103.29 8.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.473 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 7.0 tt -124.31 136.02 27.18 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.591 0.71 . . . . 0.0 111.1 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.473 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.1 Cg_endo -69.82 154.6 67.31 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.717 2.278 . . . . 0.0 112.33 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -68.36 -34.45 76.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.572 ' HB3' HG11 ' A' ' 113' ' ' VAL . 60.0 t30 -89.76 24.86 2.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.47 142.85 93.79 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.605 0.717 . . . . 0.0 111.077 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 135.73 31.19 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.691 2.261 . . . . 0.0 112.326 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.0 t -59.63 137.17 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.144 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.56 -9.54 52.78 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.0 m -67.65 134.26 50.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.343 . . . . 0.0 111.085 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.422 ' HA ' HG22 ' A' ' 75' ' ' THR . 3.9 m -84.84 106.5 16.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.484 ' CG1' HG21 ' A' ' 21' ' ' VAL . 67.4 t -68.45 -69.53 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.11 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.635 HG21 HG11 ' A' ' 106' ' ' VAL . 7.3 tt -139.16 140.81 37.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.483 ' HB2' HD23 ' A' ' 73' ' ' LEU . 37.7 tt0 -127.08 110.4 12.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.955 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.582 HD23 ' CD1' ' A' ' 14' ' ' PHE . 5.0 mp -71.93 140.42 49.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -113.13 108.89 17.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -132.87 106.77 7.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 71.8 p -104.01 157.35 17.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.562 ' HB2' HG23 ' A' ' 43' ' ' ILE . 2.6 p-10 -133.84 92.46 2.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.65 -65.17 1.04 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.08 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -87.55 -45.33 10.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.562 HG23 ' HB2' ' A' ' 40' ' ' ASP . 3.9 tp -51.16 110.8 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 45' ' ' SER . . . 53.37 98.61 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.508 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 44' ' ' GLY . 62.4 m -35.84 -53.66 0.74 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.904 0.383 . . . . 0.0 110.882 -179.717 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -119.33 106.95 12.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.3 130.87 14.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.074 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -100.47 81.13 2.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 12.4 mt -49.42 100.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.108 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 18.4 mtt180 -101.43 143.84 30.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.458 ' N ' ' CD1' ' A' ' 51' ' ' TYR . 0.5 OUTLIER -109.51 144.55 37.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.851 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.493 HG22 ' ND2' ' A' ' 69' ' ' ASN . 29.5 pt -142.78 177.23 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.091 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -76.1 145.8 39.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -66.86 -159.84 0.92 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.454 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -103.23 151.65 22.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.754 0.312 . . . . 0.0 111.096 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 55.67 41.47 30.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 99.3 t -95.95 127.54 47.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.51 147.04 83.93 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.598 0.713 . . . . 0.0 111.094 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -40.89 4.8 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.698 2.266 . . . . 0.0 112.315 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.93 -45.91 64.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.077 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.445 HG21 HG22 ' A' ' 90' ' ' VAL . 49.3 m -59.58 -40.11 86.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.182 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -70.81 -17.1 62.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 56.6 mtt-85 -90.35 -26.48 19.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.996 HD23 ' HG2' ' A' ' 78' ' ' ARG . 33.6 mt -87.25 -37.25 17.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.454 ' CE1' HG21 ' A' ' 33' ' ' VAL . 66.2 m-85 -114.5 127.02 55.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.24 113.59 26.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.135 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.418 HD13 HG12 ' A' ' 74' ' ' ILE . 11.8 tp -103.8 142.0 35.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.95 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -98.11 149.07 22.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.914 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.493 ' ND2' HG22 ' A' ' 52' ' ' ILE . 1.3 m-20 -104.86 7.27 34.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.5 p -116.53 -26.72 6.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 16.9 p -117.32 -23.14 7.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.164 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 73.0 35.11 58.11 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.967 HD11 HG23 ' A' ' 75' ' ' THR . 0.3 OUTLIER -108.86 144.72 36.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.773 0.32 . . . . 0.0 110.924 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.936 ' H ' HD22 ' A' ' 73' ' ' LEU . 68.5 mt -115.3 110.13 30.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.151 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.967 HG23 HD11 ' A' ' 73' ' ' LEU . 3.0 p -104.56 -178.9 3.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 84.5 t -94.06 104.5 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.49 ' N ' ' O ' ' A' ' 64' ' ' LEU . 23.4 tt0 -65.01 -43.47 92.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.927 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.996 ' HG2' HD23 ' A' ' 64' ' ' LEU . 6.3 ptt180 -156.22 168.83 26.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.7 t -51.74 138.4 23.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.514 HD23 HD22 ' A' ' 64' ' ' LEU . 7.5 mt -101.06 130.82 47.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -99.11 124.67 44.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.9 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 39.6 ttp85 -82.27 -24.07 34.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -64.05 -11.69 31.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -117.53 -54.04 2.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.63 ' O ' HG23 ' A' ' 85' ' ' THR . 7.4 t -131.49 92.04 3.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.167 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.46 -28.82 69.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.171 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 44.9 mt -131.58 143.7 39.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.114 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.472 ' NE2' HG21 ' A' ' 85' ' ' THR . 24.1 m-70 -117.38 140.18 49.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -124.04 105.0 9.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.445 HG22 HG21 ' A' ' 61' ' ' THR . 44.9 t -118.17 119.25 60.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 26.1 m -94.69 118.45 31.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 94.6 t -99.48 136.16 31.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 34.1 mt -115.14 130.98 57.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.629 ' HB2' ' CZ ' ' A' ' 14' ' ' PHE . . . -113.32 108.65 17.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.121 179.785 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.0 t -104.06 120.67 41.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.95 -57.01 2.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.85 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 157.24 150.05 5.59 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.7 t 41.93 28.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 0.0 110.829 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.5 t -159.57 151.02 19.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.838 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 41.5 p -69.2 142.78 93.12 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.6 0.714 . . . . 0.0 111.163 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 157.19 61.22 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.662 2.241 . . . . 0.0 112.344 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -87.97 172.73 9.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 36.8 mtm-85 -123.5 117.84 26.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -119.85 122.05 40.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.054 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 86.3 m -100.24 115.61 30.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.161 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.635 HG11 HG21 ' A' ' 34' ' ' ILE . 71.4 t -102.31 117.2 47.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 61.3 m -98.5 106.41 18.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.172 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 48.1 mt -102.2 107.43 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.106 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -89.57 134.16 34.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 70.5 t -97.06 104.63 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.064 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 21.0 p -94.3 159.91 14.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.082 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -65.24 168.42 6.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.572 HG11 ' HB3' ' A' ' 26' ' ' ASN . 11.5 m -122.8 -33.82 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.15 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 22.5 t30 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.981 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 t -89.69 86.21 6.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.883 0.373 . . . . 0.0 110.85 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.2 p -110.93 172.05 7.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.8 75.16 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.495 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.7 p -46.18 166.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.874 0.368 . . . . 0.0 110.855 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.8 p -170.98 133.41 0.9 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.8 -175.12 35.17 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.473 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -89.56 -51.4 5.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.371 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -105.96 125.5 51.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -103.36 90.48 3.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -142.91 143.26 24.58 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.601 0.715 . . . . 0.0 110.878 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 86.21 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.692 2.261 . . . . 0.0 112.355 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.4 m -72.97 139.72 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.715 ' CD1' HD12 ' A' ' 36' ' ' LEU . 29.9 m-85 -95.51 150.29 20.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.9 tppt? -40.56 -56.88 1.98 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -143.06 169.58 17.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.4 ' C ' ' OE1' ' A' ' 18' ' ' GLN . . . -76.78 -73.11 1.05 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.4 ' OE1' ' C ' ' A' ' 17' ' ' GLY . 4.1 mp0 -120.03 126.34 50.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.82 0.343 . . . . 0.0 110.876 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 41.6 t -128.02 113.71 31.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -86.49 133.04 33.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 18.8 m -127.39 154.74 38.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.129 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.536 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 20.5 p-80 -119.65 115.55 24.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.467 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 1.8 tt -133.5 137.28 28.61 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.588 0.709 . . . . 0.0 111.141 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.467 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.6 Cg_endo -69.81 150.88 68.49 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.681 2.254 . . . . 0.0 112.349 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -64.26 -39.53 94.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.534 ' HB3' HG11 ' A' ' 113' ' ' VAL . 43.6 t30 -85.51 20.92 1.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.56 142.69 15.24 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.601 0.715 . . . . 0.0 111.138 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.73 135.8 31.45 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.675 2.25 . . . . 0.0 112.336 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.436 HG13 ' O ' ' A' ' 76' ' ' VAL . 72.1 t -60.42 122.54 11.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.158 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.32 16.02 9.97 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.458 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.4 m -90.8 112.6 24.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.82 0.343 . . . . 0.0 111.114 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.626 ' HA ' HG22 ' A' ' 75' ' ' THR . 73.2 m -65.55 107.95 1.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 54.8 t -77.91 -60.02 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 tp -141.27 143.7 27.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -124.41 100.58 6.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.715 HD12 ' CD1' ' A' ' 14' ' ' PHE . 3.5 mm? -71.06 112.95 7.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.867 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -111.2 106.02 14.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -114.32 98.51 6.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.8 p -127.5 135.73 50.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.04 -52.89 4.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.42 ' O ' HG23 ' A' ' 43' ' ' ILE . . . -128.69 45.84 2.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.9 t0 38.54 37.62 0.19 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.42 HG23 ' O ' ' A' ' 41' ' ' ALA . 1.9 pt -102.85 101.51 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.169 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 45' ' ' SER . . . -84.62 -41.69 7.66 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.496 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 44' ' ' GLY . 32.7 p -34.85 -58.76 0.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.916 0.388 . . . . 0.0 110.825 -179.722 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.455 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 8.3 p30 -121.65 -175.87 3.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.849 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 46' ' ' ASN . . . 69.82 26.95 4.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.053 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -58.43 84.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.501 HG21 ' HB1' ' A' ' 94' ' ' ALA . 55.7 mt -60.42 139.93 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.101 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -98.94 141.15 32.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -116.59 130.01 56.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.954 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 12.5 pt -130.61 168.54 23.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.135 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.497 ' CZ ' ' HB3' ' A' ' 67' ' ' LEU . 50.0 m-85 -78.73 140.4 38.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -64.35 -170.72 2.17 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.46 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.72 157.13 16.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.767 0.318 . . . . 0.0 111.121 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 63.8 33.7 12.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.2 t -103.67 115.5 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.123 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.489 ' HB1' ' HD2' ' A' ' 59' ' ' PRO . . . -51.9 157.35 2.1 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.599 0.714 . . . . 0.0 111.141 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.489 ' HD2' ' HB1' ' A' ' 58' ' ' ALA . 53.8 Cg_endo -69.75 -44.38 2.12 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.696 2.264 . . . . 0.0 112.345 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 63' ' ' ARG . . . -48.03 -66.23 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.089 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 94.8 m -41.07 -25.29 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.161 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 60' ' ' ALA . 5.5 mtmp? -92.82 -33.63 14.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' A' ' 60' ' ' ALA . 17.6 ptt85 -69.95 -30.71 68.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.517 HD13 HD23 ' A' ' 80' ' ' LEU . 89.7 mt -83.7 -50.88 7.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.946 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -99.99 134.08 43.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -107.89 128.98 55.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.06 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.497 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 7.9 tp -112.53 136.81 51.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 24.3 m-20 -96.05 129.48 43.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -85.83 3.19 42.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 32.3 p -113.77 -28.43 7.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 41.8 p -117.64 -20.44 8.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.104 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 63.68 52.06 48.89 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.462 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 21.1 tp -126.45 141.73 51.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.75 0.31 . . . . 0.0 110.91 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 95.6 mt -113.7 121.26 65.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.626 HG22 ' HA ' ' A' ' 32' ' ' SER . 34.4 p -126.24 169.23 13.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.188 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.436 ' O ' HG13 ' A' ' 29' ' ' VAL . 88.8 t -80.46 107.74 13.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -78.76 -40.15 34.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 65.8 mtp180 -146.39 171.03 15.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.462 ' O ' HD22 ' A' ' 64' ' ' LEU . 3.4 t -57.58 156.32 8.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.517 HD23 HD13 ' A' ' 64' ' ' LEU . 6.7 mt -116.0 155.62 27.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.939 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -134.11 134.07 41.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 16.3 mtp180 -83.81 -34.56 24.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -47.4 -24.35 0.78 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -101.2 -58.84 1.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.461 HG21 ' NE2' ' A' ' 88' ' ' HIS . 11.5 t -136.12 126.28 26.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.123 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -91.57 -34.68 14.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 31.9 mt -117.07 136.32 54.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.095 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.461 ' NE2' HG21 ' A' ' 85' ' ' THR . 24.9 m80 -112.62 123.52 50.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -112.16 107.71 16.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 22.3 t -117.02 131.31 70.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 19.6 m -114.16 121.19 43.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 85.6 t -99.81 133.34 43.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 10.8 mt -114.17 138.38 50.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.501 ' HB1' HG21 ' A' ' 49' ' ' ILE . . . -129.99 125.3 35.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.085 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.6 t -135.31 135.3 40.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -124.3 -41.93 2.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.866 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -177.08 34.89 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.445 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 89.6 p -115.02 166.97 11.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.859 0.361 . . . . 0.0 110.881 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 53.0 p -72.53 -45.78 57.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 51.7 m -116.47 121.99 32.51 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.559 0.695 . . . . 0.0 111.161 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 165.6 30.43 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.647 2.232 . . . . 0.0 112.359 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -94.05 138.98 31.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -114.66 137.3 52.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -132.67 115.66 15.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 17.0 m -90.04 125.39 35.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.153 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 98.5 t -119.91 101.02 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.173 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 87.9 m -72.25 130.69 41.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 30.5 mt -125.67 106.72 16.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.102 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -88.6 124.92 34.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 47.6 t -91.25 122.6 42.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.126 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 28.3 p -109.73 163.37 13.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -70.45 -177.25 1.42 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.534 HG11 ' HB3' ' A' ' 26' ' ' ASN . 0.9 OUTLIER -131.92 116.48 30.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.901 -179.995 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t 71.43 41.86 0.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.9 0.381 . . . . 0.0 110.863 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.9 m -103.66 141.27 36.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 51.82 86.58 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.474 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.4 m -99.35 102.11 13.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.898 0.38 . . . . 0.0 110.848 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.0 t -54.83 96.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.821 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 8' ' ' ASN . . . 67.6 -107.71 2.15 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.502 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 7' ' ' GLY . 32.2 t30 35.04 40.54 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.82 0.343 . . . . 0.0 110.888 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -108.57 43.82 1.2 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.811 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -95.29 82.67 3.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.8 ptt180 -71.88 148.35 92.06 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.601 0.715 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 152.14 69.25 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.676 2.251 . . . . 0.0 112.343 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 45.8 t -134.15 116.61 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -65.56 157.8 28.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.889 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.404 ' C ' ' HG2' ' A' ' 16' ' ' GLU . 12.8 tptm -43.88 -55.53 4.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.404 ' HG2' ' C ' ' A' ' 15' ' ' LYS . 48.8 mm-40 -149.13 143.12 25.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -49.42 -94.8 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.514 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -87.37 126.61 34.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 43.4 t -136.4 125.01 36.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.122 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -96.41 138.09 34.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.1 m -124.32 165.47 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.098 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 11.4 m80 -122.66 131.29 53.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.865 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.531 HD12 HG22 ' A' ' 33' ' ' VAL . 11.4 tt -151.84 136.0 9.94 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.658 0.742 . . . . 0.0 111.147 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.674 ' HB2' HG23 ' A' ' 113' ' ' VAL . 54.0 Cg_endo -69.74 154.17 68.14 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.658 2.239 . . . . 0.0 112.345 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -69.61 -36.26 76.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.572 ' HB2' HG21 ' A' ' 113' ' ' VAL . 26.9 m120 -97.39 46.05 1.03 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.403 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -74.98 143.77 78.29 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.587 0.708 . . . . 0.0 111.083 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 130.72 19.8 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.657 2.238 . . . . 0.0 112.31 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.0 t -53.36 111.2 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 122.81 12.59 4.9 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.4 m -85.62 136.14 33.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.824 0.345 . . . . 0.0 111.125 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.462 ' HA ' HG22 ' A' ' 75' ' ' THR . 64.8 p -75.9 107.07 7.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.531 HG22 HD12 ' A' ' 23' ' ' ILE . 61.6 t -74.97 -62.34 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.141 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.544 HD13 ' N ' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -145.1 146.21 20.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.544 ' N ' HD13 ' A' ' 34' ' ' ILE . 5.9 tp60 -129.01 118.79 23.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.429 ' HG ' HD11 ' A' ' 34' ' ' ILE . 16.9 mt -97.24 117.76 32.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -92.58 105.31 17.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -125.23 89.41 3.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.131 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 36.5 p -118.71 113.15 20.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.425 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.8 OUTLIER -113.84 81.96 1.61 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.814 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 40' ' ' ASP . . . 67.3 50.63 0.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.059 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -81.35 47.35 1.03 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.2 pt -85.62 106.28 15.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.07 -68.28 3.12 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.465 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.5 m -57.84 149.9 21.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.891 0.377 . . . . 0.0 110.828 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 24.1 m120 -70.63 -75.07 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.918 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 49' ' ' ILE . . . 61.45 26.25 16.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.101 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.25 86.3 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.575 HG21 ' HB1' ' A' ' 94' ' ' ALA . 29.0 mt -50.6 126.56 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.164 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -83.8 115.51 22.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -89.39 111.21 22.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 28.2 pt -106.84 156.42 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.113 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -69.32 142.48 54.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -58.2 -164.4 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.487 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.54 158.1 16.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.754 0.311 . . . . 0.0 111.101 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 52.14 53.17 12.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.945 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.8 t -114.54 129.17 71.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.51 150.74 33.01 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.541 0.686 . . . . 0.0 111.114 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -43.49 2.6 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.702 2.268 . . . . 0.0 112.344 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -48.34 -44.24 34.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.063 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.443 HG21 HG22 ' A' ' 90' ' ' VAL . 49.3 m -58.23 -40.07 80.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.167 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.39 -40.08 81.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.1 mtp85 -69.36 -63.87 0.98 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.85 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.5 mt -51.94 -49.08 63.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.544 ' CZ ' HD22 ' A' ' 80' ' ' LEU . 84.6 m-85 -104.07 123.29 46.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -98.8 127.9 44.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.114 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 24.7 tp -110.36 123.79 50.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -87.93 144.29 26.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -101.54 -6.87 23.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 74.0 p -105.12 -25.16 12.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.194 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 73.8 p -116.23 -22.39 8.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 63.1 37.26 94.63 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.499 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.458 HD12 ' O ' ' A' ' 34' ' ' ILE . 30.3 tp -119.9 130.31 54.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.792 0.329 . . . . 0.0 110.919 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 87.4 mt -96.41 123.52 48.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.462 HG22 ' HA ' ' A' ' 32' ' ' SER . 65.5 p -126.23 165.72 18.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.143 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 51.6 t -81.58 110.46 16.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -81.81 -34.13 30.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 64.4 mtp180 -143.72 160.85 39.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.9 t -51.29 141.98 13.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.544 HD22 ' CZ ' ' A' ' 65' ' ' PHE . 10.8 mt -94.65 152.88 18.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.939 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -129.22 124.56 34.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 -81.81 -39.97 23.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -41.92 -44.26 3.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -76.44 -62.59 1.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.599 HG21 ' CE1' ' A' ' 88' ' ' HIS . 5.3 t -139.97 138.1 35.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.752 ' O ' HG23 ' A' ' 110' ' ' VAL . . . -95.71 -41.79 8.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.11 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 6.9 mm -105.62 141.02 21.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.599 ' CE1' HG21 ' A' ' 85' ' ' THR . 52.8 m-70 -125.11 115.31 20.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.501 ' HD2' HG23 ' A' ' 107' ' ' THR . 0.0 OUTLIER -100.15 109.93 22.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.897 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.443 HG22 HG21 ' A' ' 61' ' ' THR . 87.3 t -115.76 123.66 71.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 17.2 m -100.63 128.78 46.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 60.6 t -108.4 138.19 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.129 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 18.0 mt -119.61 116.41 25.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.575 ' HB1' HG21 ' A' ' 49' ' ' ILE . . . -103.17 126.21 50.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.8 t -132.7 134.27 44.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -128.96 58.5 1.59 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 67.16 50.94 41.98 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.491 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.3 m -150.66 -175.35 5.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.839 0.352 . . . . 0.0 110.844 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 100' ' ' THR . 5.9 t -61.23 -174.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 99' ' ' SER . 19.5 m -34.03 128.85 0.44 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.608 0.718 . . . . 0.0 111.158 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 169.3 19.2 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.686 2.258 . . . . 0.0 112.413 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.39 175.05 4.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.127 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 79.3 mtm-85 -137.66 135.58 36.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -147.52 119.43 8.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 78.2 m -91.75 117.55 29.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 73.5 t -101.04 114.35 39.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' THR . . . . . 0.501 HG23 ' HD2' ' A' ' 89' ' ' LYS . 3.5 m -90.17 119.73 30.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 23.5 mt -107.91 110.04 30.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -95.15 117.62 30.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 86' ' ' ALA . 20.3 t -85.33 127.78 39.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 3.6 p -124.96 174.51 7.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.114 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -51.66 153.0 2.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.674 HG23 ' HB2' ' A' ' 24' ' ' PRO . 5.9 p -101.13 -27.22 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.943 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 m -163.6 175.88 10.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.908 0.385 . . . . 0.0 110.835 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.4 p -117.72 -60.29 1.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.17 76.33 0.18 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.423 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m 45.81 42.55 8.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.876 0.369 . . . . 0.0 110.876 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.2 m -86.49 155.45 20.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.836 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.77 -121.76 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.483 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 64.1 m-80 -108.09 178.15 4.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.879 0.371 . . . . 0.0 110.864 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -54.82 146.76 16.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -144.25 120.83 11.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.96 152.42 47.57 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.574 0.702 . . . . 0.0 110.865 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 154.16 68.01 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.699 2.266 . . . . 0.0 112.287 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.4 p -129.15 133.14 66.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.543 ' CD1' HD22 ' A' ' 36' ' ' LEU . 8.7 m-85 -78.77 153.11 31.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.2 tttp -41.28 -50.72 3.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.964 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -146.9 160.46 42.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.01 -61.29 5.0 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.511 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -105.86 143.36 34.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.87 0.367 . . . . 0.0 110.87 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 84.1 t -132.97 135.39 57.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -122.97 133.78 54.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.2 m -134.72 150.09 30.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.44 ' O ' ' CG ' ' A' ' 22' ' ' HIS . 1.5 p80 -114.71 124.68 52.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.0 tt -148.53 132.22 8.43 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.666 0.746 . . . . 0.0 111.084 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.471 ' HB2' ' CG1' ' A' ' 113' ' ' VAL . 54.0 Cg_endo -69.69 154.84 67.53 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -69.32 -38.31 78.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.715 ' HB2' HG21 ' A' ' 113' ' ' VAL . 16.5 m-20 -85.42 29.81 0.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.6 143.72 95.46 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.554 0.692 . . . . 0.0 111.121 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 142.87 49.12 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.683 2.256 . . . . 0.0 112.316 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.5 t -63.55 131.26 29.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.075 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.45 15.8 31.26 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.446 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.1 m -82.86 126.91 32.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.814 0.34 . . . . 0.0 111.15 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.724 ' HA ' HG22 ' A' ' 75' ' ' THR . 7.6 p -70.43 109.18 4.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.8 t -79.99 -72.6 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.137 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.619 ' O ' HD12 ' A' ' 73' ' ' LEU . 10.5 tp -142.62 146.78 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.148 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.591 ' HB2' HD13 ' A' ' 73' ' ' LEU . 24.1 tt0 -123.48 103.74 8.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.543 HD22 ' CD1' ' A' ' 14' ' ' PHE . 13.6 mt -72.17 145.28 48.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -139.21 116.01 10.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.826 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -118.98 126.97 52.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.0 p -126.73 114.47 18.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.187 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -128.71 136.77 51.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 41.48 54.95 3.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.074 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -78.63 47.9 0.76 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 3.6 pt -101.55 91.22 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 118.33 -103.78 1.06 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.489 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 t -96.64 151.48 19.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.887 0.375 . . . . 0.0 110.869 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -80.75 112.28 17.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.47 147.11 52.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.03 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -93.68 87.89 5.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.774 HG23 ' O ' ' A' ' 95' ' ' SER . 67.3 mt -80.0 117.13 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.153 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.484 ' CD ' ' O ' ' A' ' 69' ' ' ASN . 0.0 OUTLIER -78.27 162.55 26.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -136.8 110.5 8.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 22.8 pt -112.7 169.75 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.095 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.54 ' CZ ' ' HG2' ' A' ' 62' ' ' LYS . 31.4 m-85 -74.26 135.1 42.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -64.25 -152.05 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.499 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -105.58 158.89 16.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.697 0.284 . . . . 0.0 111.137 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 56.59 47.87 17.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 96.2 t -107.89 121.72 61.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.078 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.82 152.07 50.49 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.562 0.696 . . . . 0.0 111.124 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -40.9 4.74 Favored 'Trans proline' 0 N--CA 1.466 -0.14 0 C-N-CA 122.72 2.28 . . . . 0.0 112.321 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.26 -57.47 12.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.081 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.538 HG21 HG22 ' A' ' 90' ' ' VAL . 85.5 m -48.11 -35.08 10.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.082 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.54 ' HG2' ' CZ ' ' A' ' 53' ' ' PHE . 35.3 mtmt -73.21 -27.21 61.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.908 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 26.4 mtt180 -84.79 -54.42 4.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 16.7 mt -57.44 -46.32 83.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -107.7 126.42 52.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -96.83 136.26 37.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.3 tp -113.35 141.62 46.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -103.08 123.25 46.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.484 ' O ' ' CD ' ' A' ' 50' ' ' ARG . 0.7 OUTLIER -84.95 5.11 30.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 73.1 p -116.84 -26.24 7.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 46.4 p -120.92 -15.92 8.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.107 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 62.19 38.29 95.92 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.619 HD12 ' O ' ' A' ' 34' ' ' ILE . 33.6 tp -111.96 149.06 32.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.805 0.336 . . . . 0.0 110.908 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 66.9 mt -121.47 122.12 66.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' THR . . . . . 0.724 HG22 ' HA ' ' A' ' 32' ' ' SER . 34.8 p -128.85 162.03 28.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 91.1 t -71.35 131.09 34.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.146 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -107.34 -35.76 6.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.917 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 79' ' ' SER . 47.4 mtp180 -147.63 152.24 37.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 78' ' ' ARG . 20.2 p -37.82 148.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.4 mt -105.84 152.88 22.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.935 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -121.14 118.27 29.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.9 tmm_? -79.75 -46.74 16.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.832 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -41.27 -49.39 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -65.5 -59.87 3.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.527 HG21 ' NE2' ' A' ' 88' ' ' HIS . 8.9 t -133.46 144.59 49.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.139 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -104.95 -24.2 12.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.048 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 69.6 mt -134.53 134.22 54.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.139 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.527 ' NE2' HG21 ' A' ' 85' ' ' THR . 23.0 m-70 -113.36 113.96 25.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? -102.83 107.79 18.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.538 HG22 HG21 ' A' ' 61' ' ' THR . 15.2 t -114.17 142.28 27.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.138 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 52.1 m -121.27 121.26 37.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 42.2 t -108.12 140.24 27.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.152 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 55.4 mt -105.29 140.06 38.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.424 ' HB2' ' CZ ' ' A' ' 14' ' ' PHE . . . -118.77 136.36 54.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.774 ' O ' HG23 ' A' ' 49' ' ' ILE . 32.2 t -139.27 142.34 37.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.823 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -134.73 -35.64 0.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.838 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 164.92 34.62 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.503 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 t -115.72 -177.88 3.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.874 0.369 . . . . 0.0 110.847 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.0 m -70.84 -71.62 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.45 HG23 ' HD2' ' A' ' 101' ' ' PRO . 92.5 m -100.16 134.01 21.12 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.582 0.706 . . . . 0.0 111.112 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PRO . . . . . 0.45 ' HD2' HG23 ' A' ' 100' ' ' THR . 54.2 Cg_endo -69.75 165.14 31.95 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.689 2.259 . . . . 0.0 112.347 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -96.33 128.93 43.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.111 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 3.6 ptp85 -107.69 150.2 27.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -146.27 119.75 9.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.094 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 28.3 m -83.46 117.29 22.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.097 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 90.9 t -106.08 142.98 17.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.128 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 61.2 m -117.87 130.0 55.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.194 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 28.6 mt -117.44 117.27 54.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.161 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -90.91 133.95 34.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 79.3 t -102.25 99.98 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.177 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 68.1 p -85.24 160.85 19.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -76.87 170.24 16.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.715 HG21 ' HB2' ' A' ' 26' ' ' ASN . 32.8 m -139.46 121.81 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 9.2 p30 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.937 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -166.66 155.96 11.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.896 0.379 . . . . 0.0 110.841 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t -173.94 127.05 0.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.893 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.18 147.04 18.76 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.494 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.6 p -164.2 165.17 22.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.892 0.377 . . . . 0.0 110.821 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.7 t -117.29 162.53 17.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.06 148.57 19.33 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.497 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -152.2 159.85 43.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 0.0 110.844 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -53.1 119.55 4.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.842 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -158.83 142.07 14.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -88.17 156.33 51.67 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.574 0.702 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 95.49 0.56 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.667 2.245 . . . . 0.0 112.315 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.4 m -103.13 168.26 2.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.136 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.672 ' CE1' ' HB2' ' A' ' 104' ' ' ALA . 96.1 m-85 -97.99 151.2 20.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -61.16 -38.95 88.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.454 ' HG3' ' CG2' ' A' ' 19' ' ' VAL . 6.2 pt-20 -127.16 -27.67 2.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.86 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 78.6 -63.44 3.72 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.475 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -103.42 138.71 39.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.861 0.362 . . . . 0.0 110.886 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.454 ' CG2' ' HG3' ' A' ' 16' ' ' GLU . 17.9 t -151.64 135.32 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -109.95 115.04 29.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.0 m -112.22 163.44 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.13 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 24.9 p-80 -134.4 108.29 8.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.826 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.471 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 2.3 tt -126.23 137.13 29.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.593 0.711 . . . . 0.0 111.117 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.471 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.7 Cg_endo -69.8 170.48 16.53 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.672 2.248 . . . . 0.0 112.377 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -84.74 -28.6 26.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.432 ' HB3' HG11 ' A' ' 113' ' ' VAL . 64.8 t30 -79.66 -10.35 59.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -37.13 139.12 0.52 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.572 0.701 . . . . 0.0 111.078 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 141.66 45.67 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.684 2.256 . . . . 0.0 112.306 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.478 HG13 ' O ' ' A' ' 76' ' ' VAL . 25.1 t -64.53 121.11 12.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.185 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.97 11.03 14.66 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.478 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.6 m -82.21 142.38 32.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.774 0.321 . . . . 0.0 111.174 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 52.4 p -81.81 115.41 21.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.828 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 18.2 t -85.53 -62.11 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.171 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.47 HG21 HG11 ' A' ' 106' ' ' VAL . 19.0 tt -142.75 154.13 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.162 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -132.14 106.21 7.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 14.7 mt -93.55 134.44 35.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -113.58 134.96 54.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.63 ' O ' HD12 ' A' ' 49' ' ' ILE . . . -126.3 95.2 4.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.2 p -98.92 117.75 34.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.151 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -128.23 156.82 42.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.53 111.64 0.49 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.161 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.8 p30 -94.95 12.59 27.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 3.1 tt -54.37 107.54 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 134.35 -67.78 0.55 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.515 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 38.6 t -161.58 159.78 28.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.876 0.369 . . . . 0.0 110.886 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -39.81 158.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -146.66 111.18 5.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.103 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -96.01 95.92 8.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.63 HD12 ' O ' ' A' ' 38' ' ' ALA . 26.3 mt -68.66 106.09 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.119 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.476 ' HD2' ' N ' ' A' ' 50' ' ' ARG . 0.3 OUTLIER -90.25 118.82 30.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.88 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.495 ' CE1' ' C ' ' A' ' 71' ' ' THR . 23.4 m-85 -88.21 153.29 21.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.402 ' N ' HD13 ' A' ' 52' ' ' ILE . 0.1 OUTLIER -145.21 175.0 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -83.35 146.31 28.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -54.79 -168.34 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.475 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -94.59 136.61 34.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.748 0.309 . . . . 0.0 111.073 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 56.73 51.16 11.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.44 HG12 ' HD2' ' A' ' 62' ' ' LYS . 92.0 t -96.93 128.37 48.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.471 ' O ' ' CD ' ' A' ' 62' ' ' LYS . . . -51.35 145.52 13.93 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.526 0.679 . . . . 0.0 111.086 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.412 ' HA ' ' HD3' ' A' ' 62' ' ' LYS . 53.3 Cg_endo -69.79 -49.06 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.675 2.25 . . . . 0.0 112.355 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 63' ' ' ARG . . . -51.56 -66.83 0.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 70.5 m -39.31 -31.87 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.144 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.471 ' CD ' ' O ' ' A' ' 58' ' ' ALA . 12.9 mtpt -80.64 -38.32 29.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 60' ' ' ALA . 22.5 mmm180 -58.17 -43.7 87.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.839 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.409 ' HB3' HD23 ' A' ' 80' ' ' LEU . 21.3 mt -69.48 -51.14 38.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -103.33 120.92 41.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.16 145.53 24.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.106 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 28.3 tp -121.02 119.36 32.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.947 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -73.3 130.84 41.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -94.05 13.07 24.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.6 p -118.79 -28.99 5.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.151 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.495 ' C ' ' CE1' ' A' ' 51' ' ' TYR . 44.9 p -127.88 -29.33 2.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 90.38 14.36 58.77 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.511 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.6 tp -81.96 145.41 30.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.772 0.32 . . . . 0.0 110.891 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 65.7 mt -113.46 133.27 59.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 16.7 p -132.41 170.93 14.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.15 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.478 ' O ' HG13 ' A' ' 29' ' ' VAL . 97.9 t -86.17 101.79 10.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -72.06 -44.04 63.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 36.6 mtp85 -149.16 152.5 36.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.4 t -39.05 149.54 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.409 HD23 ' HB3' ' A' ' 64' ' ' LEU . 10.7 mt -98.96 156.23 17.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -114.68 115.09 26.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -88.31 -35.8 17.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -52.16 -46.05 65.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.62 -70.52 0.49 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.638 HG21 ' CE1' ' A' ' 88' ' ' HIS . 4.9 t -112.08 139.97 47.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.148 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.629 ' O ' HG23 ' A' ' 110' ' ' VAL . . . -102.37 -37.96 7.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 36.6 mt -116.36 139.19 44.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.09 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.638 ' CE1' HG21 ' A' ' 85' ' ' THR . 51.4 m-70 -119.55 111.04 17.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.816 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 27.2 mttp -103.66 111.35 23.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 65.7 t -123.62 132.98 70.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 16.7 m -99.75 142.63 30.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 69.9 t -117.34 151.31 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 77.7 mt -131.3 120.71 23.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -99.12 110.32 22.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.4 t -134.38 140.64 46.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -127.31 -31.8 2.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.846 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 163.34 35.57 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.503 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 51.0 p -131.49 -177.98 4.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.861 0.362 . . . . 0.0 110.865 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 100' ' ' THR . 9.3 t -53.25 -176.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.828 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.427 ' C ' ' O ' ' A' ' 99' ' ' SER . 17.3 m -34.75 127.89 0.5 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.576 0.703 . . . . 0.0 111.158 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -175.01 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.667 2.244 . . . . 0.0 112.337 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -95.21 153.16 17.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.092 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -102.82 139.82 37.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.672 ' HB2' ' CE1' ' A' ' 14' ' ' PHE . . . -137.22 118.4 14.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.084 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 89.7 m -93.99 108.27 20.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.47 HG11 HG21 ' A' ' 34' ' ' ILE . 84.5 t -103.88 110.07 29.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.111 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 8.1 m -91.22 134.22 34.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 18.0 mt -129.07 102.46 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -85.39 151.93 23.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 86' ' ' ALA . 34.6 t -111.34 130.23 65.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.118 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 11.3 p -114.57 172.39 7.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -90.22 153.56 20.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.432 HG11 ' HB3' ' A' ' 26' ' ' ASN . 2.9 m -108.68 -16.94 8.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 57.9 t-20 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 t -131.75 -48.38 0.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.85 0.357 . . . . 0.0 110.87 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.7 t -66.54 97.03 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.43 143.57 16.79 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.494 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.6 m -139.36 165.35 27.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.86 0.362 . . . . 0.0 110.843 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.1 m -105.82 112.98 26.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.816 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.36 132.2 11.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.542 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -80.61 -60.4 2.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 110.912 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -129.95 134.33 47.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -125.77 105.32 8.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.3 ptt85 -147.82 142.21 16.4 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.596 0.713 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 178.1 4.94 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.676 2.25 . . . . 0.0 112.326 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.7 p -160.33 143.47 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.534 ' CE1' ' HB3' ' A' ' 36' ' ' LEU . 6.3 m-85 -91.13 165.79 13.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -63.19 -54.2 41.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.406 ' HB2' ' CG2' ' A' ' 19' ' ' VAL . 21.5 mt-10 -145.5 113.73 6.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -39.37 -53.5 2.78 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.485 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.7 mp0 -119.1 129.81 55.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.875 0.369 . . . . 0.0 110.895 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.406 ' CG2' ' HB2' ' A' ' 16' ' ' GLU . 47.2 t -136.82 125.54 35.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.44 ' OE2' ' ND2' ' A' ' 109' ' ' ASN . 30.9 tt0 -94.71 152.64 18.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.7 m -151.57 165.81 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.486 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 6.3 p-80 -126.53 122.13 34.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.477 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 6.7 tt -145.72 136.2 12.14 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.575 0.702 . . . . 0.0 111.173 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PRO . . . . . 0.477 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.7 Cg_endo -69.75 161.45 45.87 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.743 2.295 . . . . 0.0 112.301 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -71.51 -36.39 71.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -90.54 21.0 4.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.5 142.33 22.05 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.627 0.727 . . . . 0.0 111.088 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 129.34 17.47 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.692 2.262 . . . . 0.0 112.329 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.0 t -56.84 137.14 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.172 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.44 -2.49 50.03 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.526 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 85.6 m -73.83 134.68 43.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.806 0.336 . . . . 0.0 111.122 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 81.1 p -76.68 111.91 12.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 41.5 t -84.96 -65.32 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.41 ' CG2' HD12 ' A' ' 74' ' ' ILE . 2.9 tp -138.91 137.35 42.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.099 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -118.32 111.16 18.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.534 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . 4.6 mt -97.95 127.4 43.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -121.57 109.29 14.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.464 ' HB2' ' CD1' ' A' ' 14' ' ' PHE . . . -131.46 110.1 10.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.063 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 38.0 p -122.86 152.16 41.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -114.03 142.46 46.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.835 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -44.91 103.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.08 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.29 74.71 0.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.862 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.8 pt -92.7 106.99 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 97.06 -65.0 0.96 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.439 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 84.6 p -125.48 160.35 29.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.865 0.364 . . . . 0.0 110.831 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.99 155.84 40.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -116.64 114.9 24.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -92.54 85.34 5.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.715 HD13 ' HA ' ' A' ' 96' ' ' ASP . 28.1 mm -66.39 123.51 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.125 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 37.1 mmm-85 -112.64 117.31 31.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.446 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 48.0 m-85 -86.0 135.53 33.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.499 ' C ' HD12 ' A' ' 52' ' ' ILE . 2.6 pp -137.33 162.9 32.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.483 ' CD2' ' HE2' ' A' ' 62' ' ' LYS . 28.6 m-85 -74.28 119.4 18.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.475 ' HA2' HD12 ' A' ' 93' ' ' LEU . . . -55.78 -175.31 0.18 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.455 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -83.41 153.27 24.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.762 0.315 . . . . 0.0 111.081 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 61.85 53.89 3.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.6 t -121.71 119.64 59.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.107 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.83 150.27 91.51 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.571 0.701 . . . . 0.0 111.066 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -50.72 0.44 Allowed 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.676 2.251 . . . . 0.0 112.363 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -41.07 -51.26 3.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.7 HG21 HG22 ' A' ' 90' ' ' VAL . 89.1 m -54.08 -36.68 63.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.483 ' HE2' ' CD2' ' A' ' 53' ' ' PHE . 1.9 mtpm? -72.6 -43.27 63.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.7 tpt85 -53.83 -41.18 67.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.791 HD23 ' HB2' ' A' ' 78' ' ' ARG . 14.9 mt -83.14 -49.47 9.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -94.37 124.01 38.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -102.77 122.39 44.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.083 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 21.4 tp -96.55 138.92 33.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -102.1 134.22 45.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 51' ' ' TYR . 0.8 OUTLIER -95.79 5.4 51.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 66.5 p -118.35 -28.54 5.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 43.8 p -121.98 -19.11 6.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.159 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 59.53 36.73 90.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.491 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.1 tp -112.93 121.85 45.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.789 0.328 . . . . 0.0 110.95 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.41 HD12 ' CG2' ' A' ' 34' ' ' ILE . 97.4 mt -85.66 123.13 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 32.6 p -126.78 152.44 46.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 59.9 t -65.19 124.0 19.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.144 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -108.46 -26.04 10.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.791 ' HB2' HD23 ' A' ' 64' ' ' LEU . 10.7 mmm180 -143.96 161.28 39.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.6 m -64.66 120.33 12.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.2 mt -74.62 143.8 44.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -120.43 126.62 50.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.864 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 39.7 ttp85 -82.9 -43.8 16.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -41.08 -38.16 0.98 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -85.79 -64.92 1.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.591 HG21 ' CE1' ' A' ' 88' ' ' HIS . 4.8 t -126.83 122.43 34.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.169 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.99 -20.23 26.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 47.4 mt -134.62 137.27 51.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.112 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' HIS . . . . . 0.591 ' CE1' HG21 ' A' ' 85' ' ' THR . 32.9 m-70 -116.01 117.09 29.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -106.45 108.19 19.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.7 HG22 HG21 ' A' ' 61' ' ' THR . 93.0 t -119.01 144.56 26.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 32.6 m -122.68 113.62 19.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.098 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 98.3 t -98.13 140.4 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.101 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.475 HD12 ' HA2' ' A' ' 54' ' ' GLY . 76.2 mt -113.99 136.2 53.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -125.95 120.2 29.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.066 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 47.6 t -131.39 118.61 20.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.869 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.715 ' HA ' HD13 ' A' ' 49' ' ' ILE . 0.5 OUTLIER -69.28 -54.01 16.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.833 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 176.45 112.5 0.31 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.512 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 26.4 m 52.05 43.62 30.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.887 0.375 . . . . 0.0 110.852 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.2 m -142.75 149.57 38.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.868 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 44.4 m -48.88 122.46 11.2 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.546 0.689 . . . . 0.0 111.158 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 149.22 66.62 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.645 2.23 . . . . 0.0 112.33 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -98.21 119.23 36.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 103' ' ' ARG . 4.7 ptp180 -100.08 137.08 39.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -139.64 118.55 12.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.09 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 53.2 m -90.63 110.95 22.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.421 HG12 HG13 ' A' ' 108' ' ' ILE . 94.4 t -96.17 107.11 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.097 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.8 m -80.73 102.6 10.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.128 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.421 HG13 HG12 ' A' ' 106' ' ' VAL . 18.0 mt -99.57 112.99 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.114 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ASN . . . . . 0.44 ' ND2' ' OE2' ' A' ' 20' ' ' GLU . 66.4 m-20 -85.72 152.77 22.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 47.0 t -121.69 117.86 53.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.136 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 67.1 p -106.79 175.54 5.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -93.07 163.81 13.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.44 ' CG1' ' HB2' ' A' ' 24' ' ' PRO . 6.8 m -115.86 -16.61 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.172 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.415 ' OD1' ' C ' ' A' ' 114' ' ' ASN . 3.2 p-10 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.86 0.275 . . . . 0.0 112.331 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.2 p -138.35 134.53 43.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -76.56 152.61 35.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.0 tttp -57.34 -51.55 68.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -145.79 130.09 17.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -45.53 -63.69 2.65 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.478 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.03 142.74 51.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.814 0.34 . . . . 0.0 110.944 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.8 t -142.25 141.43 28.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -102.83 134.08 46.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.562 HG23 HG23 ' A' ' 108' ' ' ILE . 35.5 m -127.0 155.06 37.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.156 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.431 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 39.4 p-80 -125.98 105.8 9.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.458 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 0.8 OUTLIER -129.72 138.3 32.82 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.626 0.727 . . . . 0.0 111.127 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.458 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.6 Cg_endo -69.74 140.72 43.44 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.729 2.286 . . . . 0.0 112.34 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.426 ' C ' ' OE1' ' A' ' 25' ' ' GLU . 1.6 pp20? -57.74 -37.52 73.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.521 ' HB2' HG21 ' A' ' 113' ' ' VAL . 46.3 t30 -77.79 -3.11 39.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 26' ' ' ASN . . . -34.41 143.29 0.21 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.603 0.716 . . . . 0.0 111.098 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 143.09 49.41 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.689 2.259 . . . . 0.0 112.301 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.7 t -66.94 128.41 30.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 109.37 6.0 29.64 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.521 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.7 m -79.48 141.12 37.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.789 0.328 . . . . 0.0 111.162 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.806 ' HA ' HG22 ' A' ' 75' ' ' THR . 77.6 p -90.15 105.48 17.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.9 t -69.83 -68.23 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.575 HG21 HG11 ' A' ' 106' ' ' VAL . 11.8 tt -142.35 145.14 23.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.7 tp60 -122.73 124.36 43.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.934 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.0 mt -100.06 115.28 29.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -104.02 104.99 15.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -134.62 90.27 2.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.108 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.5 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.121 -179.888 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.435 ' C ' ' HD2' ' A' ' 50' ' ' ARG . 93.2 mt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.809 0.338 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.455 ' HD2' ' N ' ' A' ' 50' ' ' ARG . 0.3 OUTLIER -106.26 135.0 48.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.861 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.524 ' CE2' ' C ' ' A' ' 71' ' ' THR . 49.0 m-85 -107.04 108.85 20.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 15.7 pt -104.67 174.44 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.104 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -82.36 136.16 35.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -60.14 -160.56 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.508 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.63 150.12 21.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.751 0.31 . . . . 0.0 111.097 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 60.17 46.94 9.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.936 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 79.7 t -107.77 118.37 55.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.09 148.72 60.04 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.634 0.73 . . . . 0.0 111.068 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -40.28 5.49 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.685 2.257 . . . . 0.0 112.375 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.91 -43.31 59.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.113 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.45 HG21 HG22 ' A' ' 90' ' ' VAL . 56.9 m -61.44 -35.7 78.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.167 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -65.18 -36.46 84.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -80.02 -48.93 12.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 67.4 mt -56.83 -41.05 77.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -117.91 131.55 56.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.16 114.61 26.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.096 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.5 tp -103.29 115.16 30.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -71.35 119.29 15.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.441 ' N ' ' OD1' ' A' ' 69' ' ' ASN . 0.7 OUTLIER -84.58 18.33 2.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.929 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.52 -26.07 3.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.116 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.524 ' C ' ' CE2' ' A' ' 51' ' ' TYR . 18.3 p -125.58 -23.91 3.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.133 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.518 ' N ' ' CD2' ' A' ' 51' ' ' TYR . . . 79.52 25.01 59.63 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.496 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.426 HD12 ' N ' ' A' ' 74' ' ' ILE . 6.4 tp -93.13 135.54 34.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.809 0.337 . . . . 0.0 110.92 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.426 ' N ' HD12 ' A' ' 73' ' ' LEU . 85.2 mt -106.95 122.95 61.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.806 HG22 ' HA ' ' A' ' 32' ' ' SER . 65.1 p -136.54 150.16 48.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 78.4 t -56.14 123.34 6.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.161 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -101.24 -36.59 8.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 31.8 mtp85 -151.72 161.63 42.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.4 m -52.92 141.05 22.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.6 mt -103.56 168.67 9.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -132.6 123.42 26.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -77.86 -47.01 19.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -44.36 -46.47 9.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -69.89 -68.79 0.39 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.54 HG21 ' CE1' ' A' ' 88' ' ' HIS . 10.1 t -120.58 139.93 52.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.153 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -103.25 -42.05 5.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.105 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 75.3 mt -115.21 134.84 57.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.118 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.54 ' CE1' HG21 ' A' ' 85' ' ' THR . 28.8 m-70 -113.25 118.78 35.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 48.7 mttt -109.26 104.32 13.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.45 HG22 HG21 ' A' ' 61' ' ' THR . 91.2 t -117.73 135.62 57.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.19 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 14.1 m -112.2 138.88 48.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.181 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.445 HG13 ' HB3' ' A' ' 51' ' ' TYR . 96.4 t -114.41 140.17 36.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.171 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 62.0 mt -124.34 121.48 35.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -106.22 116.45 31.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 9.4 p . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.778 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.465 -0.166 0 CA-C-O 120.816 0.257 . . . . 0.0 112.361 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -93.29 142.45 27.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.105 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 27.7 ptt85 -102.13 142.41 33.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.821 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -142.19 127.91 19.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.081 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 19.2 m -93.8 145.48 24.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.575 HG11 HG21 ' A' ' 34' ' ' ILE . 87.0 t -141.48 114.48 4.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.1 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 6.6 m -100.46 125.01 46.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.176 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.562 HG23 HG23 ' A' ' 21' ' ' VAL . 12.0 mt -115.35 110.47 32.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -87.76 126.14 34.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 88.3 t -86.93 121.65 37.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.127 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 59.4 p -102.65 144.91 30.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.16 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -54.65 170.27 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.521 HG21 ' HB2' ' A' ' 26' ' ' ASN . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.125 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.143 0 CA-C-O 120.841 0.267 . . . . 0.0 112.351 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.9 m -109.2 135.31 48.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.126 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.751 ' CD2' ' HB2' ' A' ' 104' ' ' ALA . 12.5 m-85 -87.5 129.68 34.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.448 ' HD3' ' CG ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -42.89 -33.69 0.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.448 ' CG ' ' HD3' ' A' ' 15' ' ' LYS . 9.6 mm-40 -149.25 138.88 21.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -78.9 -60.64 2.54 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.461 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -117.97 118.92 33.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.855 0.36 . . . . 0.0 110.926 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 18.9 t -132.16 118.94 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.091 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -94.48 122.35 36.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.4 HG21 ' CG1' ' A' ' 33' ' ' VAL . 27.4 m -116.27 149.1 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.109 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.49 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 17.4 p-80 -114.0 117.89 32.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.465 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 2.3 tt -138.49 137.1 19.71 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.648 0.737 . . . . 0.0 111.078 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.465 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.8 Cg_endo -69.74 159.92 51.63 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.348 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -76.97 -22.61 52.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.637 ' HB3' HG11 ' A' ' 113' ' ' VAL . 56.0 t30 -96.79 16.92 17.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.874 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.96 143.97 50.1 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.555 0.693 . . . . 0.0 111.073 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 143.66 51.66 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.682 2.254 . . . . 0.0 112.341 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 64.0 t -67.19 130.77 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.79 14.37 29.58 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.49 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 32.1 m -83.86 143.22 30.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.756 0.313 . . . . 0.0 111.165 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 58.0 p -89.02 106.56 18.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.4 ' CG1' HG21 ' A' ' 21' ' ' VAL . 44.2 t -75.87 -68.66 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.15 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.0 tt -137.36 152.44 27.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.763 ' OE1' HD13 ' A' ' 73' ' ' LEU . 40.6 tp60 -116.73 127.91 54.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.5 mt -111.4 109.69 19.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.952 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -106.78 116.59 32.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -119.01 127.21 53.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.1 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.6 p . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.152 -179.868 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.488 ' CG2' ' HB1' ' A' ' 94' ' ' ALA . 28.0 mt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.837 0.351 . . . . 0.0 111.101 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 12.7 mmt85 -98.03 137.42 36.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.585 ' CD2' ' CA ' ' A' ' 72' ' ' GLY . 10.2 m-85 -107.21 115.8 30.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 12.7 pt -124.66 158.92 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.178 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.501 ' CD2' ' HG2' ' A' ' 62' ' ' LYS . 76.3 m-85 -66.96 136.33 55.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.79 -165.36 0.38 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.459 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -91.62 151.14 20.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.732 0.301 . . . . 0.0 111.127 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 20.5 mp0 59.44 43.85 15.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 88.1 t -97.53 116.2 39.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -45.85 143.94 3.01 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.588 0.709 . . . . 0.0 111.084 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -45.09 1.71 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.702 2.268 . . . . 0.0 112.322 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.59 -33.79 56.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.103 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.431 HG21 HG22 ' A' ' 90' ' ' VAL . 93.2 m -70.4 -63.94 0.99 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.501 ' HG2' ' CD2' ' A' ' 53' ' ' PHE . 18.5 mtmt -37.63 -32.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.5 ttt85 -82.92 -66.03 0.94 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 34.6 mt -39.19 -39.84 0.66 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -113.58 142.75 45.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -110.92 118.28 35.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.083 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.7 tp -106.2 107.06 17.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -67.06 132.34 47.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -92.51 5.8 49.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.2 p -116.2 -26.05 7.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 21.3 p -117.38 -17.3 10.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.194 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.585 ' CA ' ' CD2' ' A' ' 51' ' ' TYR . . . 64.46 27.3 71.56 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.456 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.763 HD13 ' OE1' ' A' ' 35' ' ' GLN . 10.8 tp -104.99 133.27 50.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.725 0.298 . . . . 0.0 110.922 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 97.4 mt -98.11 128.79 49.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.134 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 61.5 p -135.31 170.97 15.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 42.4 t -90.68 122.66 42.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.102 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -95.14 -44.05 7.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 36.1 mtt-85 -133.88 163.41 29.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.1 t -53.25 154.21 3.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.1 mt -113.63 160.14 18.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -123.72 139.41 54.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.818 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -96.66 -26.51 15.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -75.21 -10.69 59.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -102.69 -64.01 1.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.638 HG21 ' CE1' ' A' ' 88' ' ' HIS . 10.2 t -129.87 109.87 11.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.158 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.433 ' HB3' HD12 ' A' ' 87' ' ' ILE . . . -73.35 -42.3 62.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.066 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.433 HD12 ' HB3' ' A' ' 86' ' ' ALA . 5.3 mp -113.66 138.54 43.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.093 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.638 ' CE1' HG21 ' A' ' 85' ' ' THR . 24.8 m-70 -113.46 112.96 24.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -101.77 111.97 24.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.431 HG22 HG21 ' A' ' 61' ' ' THR . 60.4 t -130.36 124.71 58.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.156 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 23.0 m -105.41 126.82 52.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.44 ' CG1' ' HB3' ' A' ' 51' ' ' TYR . 49.0 t -102.16 134.63 42.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 14.9 mt -108.78 137.03 47.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.488 ' HB1' ' CG2' ' A' ' 49' ' ' ILE . . . -112.69 101.03 9.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.067 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 42.7 t . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.786 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.465 -0.169 0 CA-C-O 120.785 0.244 . . . . 0.0 112.376 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -87.17 151.9 22.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 12.0 mmt85 -114.65 134.51 55.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.751 ' HB2' ' CD2' ' A' ' 14' ' ' PHE . . . -150.19 116.51 5.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 59.1 m -102.41 127.63 49.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.414 HG12 HG13 ' A' ' 108' ' ' ILE . 94.0 t -109.68 101.18 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 5.4 m -75.19 102.94 5.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.136 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.414 HG13 HG12 ' A' ' 106' ' ' VAL . 30.4 mt -101.21 111.97 32.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.153 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -90.93 136.99 32.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 46.0 t -102.5 116.65 46.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.082 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 1.5 p -100.85 170.42 8.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.154 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -81.77 163.1 22.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.637 HG11 ' HB3' ' A' ' 26' ' ' ASN . 25.5 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.133 0 CA-C-O 120.81 0.254 . . . . 0.0 112.317 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 71.4 t -102.53 124.1 56.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.498 ' CD1' HD22 ' A' ' 36' ' ' LEU . 10.8 m-85 -93.39 111.9 23.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 16' ' ' GLU . 18.1 tptm -64.54 134.11 53.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.447 ' O ' HG23 ' A' ' 19' ' ' VAL . 14.0 pt-20 34.79 53.78 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -44.79 -47.29 9.26 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.494 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -79.52 119.84 23.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.349 . . . . 0.0 110.886 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.497 HG12 ' N ' ' A' ' 20' ' ' GLU . 73.3 t -149.73 157.85 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.497 ' N ' HG12 ' A' ' 19' ' ' VAL . 20.8 tt0 -124.65 109.71 13.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.5 m -100.91 163.38 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.146 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 69.9 m80 -125.78 106.62 9.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.475 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 7.5 tt -128.74 136.12 28.66 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.68 0.752 . . . . 0.0 111.106 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.475 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.8 Cg_endo -69.73 145.4 57.2 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.663 2.242 . . . . 0.0 112.365 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -61.38 -29.53 69.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.578 ' HB3' HG11 ' A' ' 113' ' ' VAL . 41.9 t30 -92.53 14.25 17.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.34 142.73 10.58 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.64 0.734 . . . . 0.0 111.055 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 136.49 32.96 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.669 2.246 . . . . 0.0 112.307 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.426 HG13 ' O ' ' A' ' 76' ' ' VAL . 24.7 t -61.42 140.67 18.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.85 0.09 59.04 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.524 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 32.1 m -78.7 141.52 37.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.842 0.353 . . . . 0.0 111.115 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.584 ' HA ' HG22 ' A' ' 75' ' ' THR . 58.2 p -76.71 109.13 10.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.817 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.7 t -78.7 -69.35 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.142 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.718 HG12 HG21 ' A' ' 106' ' ' VAL . 3.7 tp -136.05 146.3 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.484 ' OE1' HD13 ' A' ' 73' ' ' LEU . 38.6 tp60 -128.05 126.91 42.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.498 HD22 ' CD1' ' A' ' 14' ' ' PHE . 18.6 mt -100.45 146.62 26.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 14.8 t-160 -113.52 111.17 21.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -123.02 110.38 15.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.114 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 42.7 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.112 -179.869 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 86.4 mt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.809 0.338 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -102.81 117.24 34.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.454 ' HB3' ' CG1' ' A' ' 92' ' ' VAL . 0.9 OUTLIER -80.09 159.24 26.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 -179.847 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 12.3 pt -153.04 173.89 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -75.86 126.76 31.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.809 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.811 ' HA2' HD12 ' A' ' 93' ' ' LEU . . . -66.54 -158.51 0.66 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.496 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -95.79 156.83 16.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.76 0.314 . . . . 0.0 111.125 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 61.85 38.32 14.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.1 t -102.04 127.83 55.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.171 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.92 152.28 95.02 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.637 0.732 . . . . 0.0 111.084 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -46.8 1.07 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.668 2.245 . . . . 0.0 112.355 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.57 -36.58 64.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.061 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.563 ' CG2' HG22 ' A' ' 90' ' ' VAL . 93.2 m -68.83 -25.15 64.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.162 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -75.87 -37.74 58.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 33.2 ttt180 -82.79 -55.3 4.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 46.1 mt -50.05 -36.14 27.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -116.38 137.42 52.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.644 ' HB2' ' HB2' ' A' ' 77' ' ' GLN . . . -100.81 116.98 33.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 tp -109.65 105.89 15.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 -65.97 118.67 10.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 28.9 m120 -83.3 5.77 22.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 88.4 m -106.78 -27.86 10.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.401 ' C ' ' CE1' ' A' ' 51' ' ' TYR . 43.4 p -126.73 -27.02 3.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.68 11.46 71.05 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.485 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.484 HD13 ' OE1' ' A' ' 35' ' ' GLN . 20.0 tp -87.01 116.61 25.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.764 0.316 . . . . 0.0 110.904 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.617 HD12 ' CG2' ' A' ' 34' ' ' ILE . 84.2 mt -88.9 122.36 40.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.158 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.584 HG22 ' HA ' ' A' ' 32' ' ' SER . 41.3 p -127.91 152.7 47.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.426 ' O ' HG13 ' A' ' 29' ' ' VAL . 70.9 t -57.96 109.56 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.145 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.644 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 40.7 tt0 -83.71 -39.65 19.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 58.0 mtt-85 -148.33 169.55 19.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.0 m -58.09 133.3 55.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.826 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.2 mt -95.17 164.83 12.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.51 126.68 31.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.729 ' HD2' HG12 ' A' ' 110' ' ' VAL . 8.5 ttt-85 -86.35 -23.48 26.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -56.79 -44.88 82.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -75.63 -61.46 1.91 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.504 ' CG2' ' CE1' ' A' ' 88' ' ' HIS . 6.0 t -138.67 132.12 30.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.136 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.629 ' O ' HG23 ' A' ' 110' ' ' VAL . . . -94.64 -34.04 12.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.092 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 81.3 mt -103.68 121.07 54.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.152 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.504 ' CE1' ' CG2' ' A' ' 85' ' ' THR . 42.7 m-70 -108.8 118.2 36.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -108.94 111.93 23.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.563 HG22 ' CG2' ' A' ' 61' ' ' THR . 97.1 t -119.46 120.8 64.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.139 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 57.1 m -101.14 133.51 45.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.454 ' CG1' ' HB3' ' A' ' 51' ' ' TYR . 93.6 t -116.27 130.95 70.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.128 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.811 HD12 ' HA2' ' A' ' 54' ' ' GLY . 11.5 mt -110.9 123.99 51.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -102.01 128.8 48.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.814 -179.759 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 C--O 1.231 0.136 0 CA-C-O 120.787 0.245 . . . . 0.0 112.369 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -100.7 118.26 36.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -91.0 133.17 35.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.413 ' HB2' ' CD2' ' A' ' 14' ' ' PHE . . . -136.0 124.5 23.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 35.5 m -99.28 142.48 30.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.184 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.718 HG21 HG12 ' A' ' 34' ' ' ILE . 84.1 t -134.28 115.42 20.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.9 m -86.73 128.54 35.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.168 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 53.0 mt -117.48 106.38 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.485 ' ND2' ' HG2' ' A' ' 20' ' ' GLU . 2.9 m-80 -85.41 126.27 33.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.729 HG12 ' HD2' ' A' ' 82' ' ' ARG . 86.0 t -95.4 127.79 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.169 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 11.5 p -111.88 162.12 15.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.51 160.48 30.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.578 HG11 ' HB3' ' A' ' 26' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.083 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.144 0 CA-C-O 120.811 0.254 . . . . 0.0 112.372 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.9 p -132.65 144.2 37.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.099 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.46 ' CD2' ' HB2' ' A' ' 104' ' ' ALA . 30.0 m-85 -88.39 136.85 32.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.9 ttmt -43.45 -38.18 2.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.2 pm0 -142.25 -177.82 5.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -112.71 -68.34 0.52 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.53 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.0 tm0? -115.23 145.93 41.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.82 0.343 . . . . 0.0 110.933 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 91.7 t -150.32 116.09 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -85.14 118.96 25.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 18.8 m -112.96 159.34 12.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.095 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.512 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 28.2 p-80 -123.2 114.42 20.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.882 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.5 tt -133.6 132.79 21.94 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.616 0.722 . . . . 0.0 111.139 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 141.37 45.39 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.722 2.281 . . . . 0.0 112.377 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -55.64 -35.01 65.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.859 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.516 ' HB3' HG11 ' A' ' 113' ' ' VAL . 59.2 t30 -92.55 25.8 2.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.64 144.11 66.07 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.632 0.73 . . . . 0.0 111.09 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 130.94 20.21 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.655 2.236 . . . . 0.0 112.336 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.3 t -54.75 114.76 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.166 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 117.67 13.98 7.06 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.483 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.8 m -83.56 132.62 34.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.809 0.338 . . . . 0.0 111.089 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.523 ' HA ' HG22 ' A' ' 75' ' ' THR . 47.0 m -74.51 115.09 13.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.1 t -84.47 -68.18 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.2 tp -140.6 143.23 29.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.109 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.0 tm0? -116.15 123.92 49.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 46.2 mt -106.7 131.34 53.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -126.92 105.33 8.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -128.84 91.23 3.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.106 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.9 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.169 -179.934 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 9.7 mm . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.812 0.339 . . . . 0.0 111.101 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -130.94 139.65 50.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.448 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 21.9 m-85 -113.44 118.44 34.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.532 HD11 HD12 ' A' ' 93' ' ' LEU . 2.8 pp -118.75 166.52 13.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.175 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.468 ' O ' HD12 ' A' ' 52' ' ' ILE . 33.9 m-85 -70.36 139.27 51.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -51.5 -175.03 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.501 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.73 156.82 18.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.702 0.287 . . . . 0.0 111.149 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 43.62 47.11 6.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 54.6 t -97.98 109.97 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.087 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.427 ' HB1' ' HD2' ' A' ' 59' ' ' PRO . . . -42.8 155.51 0.26 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.554 0.692 . . . . 0.0 111.103 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.427 ' HD2' ' HB1' ' A' ' 58' ' ' ALA . 53.9 Cg_endo -69.72 -47.22 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.676 2.251 . . . . 0.0 112.362 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -49.83 -53.58 24.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.9 m -52.98 -16.27 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -103.55 -21.71 13.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -81.36 -32.71 32.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 50.3 mt -81.29 -32.6 33.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -119.23 142.29 48.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -114.75 117.23 30.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.086 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.464 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 11.0 tp -99.37 140.71 33.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -103.74 143.39 32.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 51' ' ' TYR . 0.4 OUTLIER -104.12 1.78 31.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.4 p -106.74 -27.66 10.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.4 p -119.12 -28.37 5.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 77.87 37.83 28.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.499 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.0 tp -115.82 138.57 51.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.858 0.361 . . . . 0.0 110.912 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 85.8 mt -105.62 113.87 43.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.142 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.523 HG22 ' HA ' ' A' ' 32' ' ' SER . 12.5 p -119.83 169.91 9.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.173 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 66.2 t -83.29 138.47 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -106.91 -38.89 5.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 45.9 mtp180 -146.68 153.26 40.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.4 m -40.32 150.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.3 mt -104.52 158.6 16.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -120.5 115.01 22.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -84.37 -35.62 23.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -55.36 -19.22 8.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -101.45 -62.73 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.549 HG21 ' CE1' ' A' ' 88' ' ' HIS . 5.2 t -128.3 147.29 50.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.191 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.541 ' O ' HG23 ' A' ' 110' ' ' VAL . . . -116.6 -32.78 5.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.125 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 22.5 mm -110.11 124.46 66.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.138 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.549 ' CE1' HG21 ' A' ' 85' ' ' THR . 56.3 m-70 -117.36 114.12 23.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.7 mttt -106.13 113.42 26.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 57.8 t -117.67 132.27 67.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 21.6 m -107.3 130.7 54.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.136 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 86.4 t -110.25 144.72 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.532 HD12 HD11 ' A' ' 52' ' ' ILE . 25.4 mt -125.01 126.07 44.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -109.74 119.21 38.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 42.0 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.781 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.794 0.248 . . . . 0.0 112.323 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -85.75 151.42 23.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 45.4 mtm-85 -105.2 134.74 47.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.92 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.46 ' HB2' ' CD2' ' A' ' 14' ' ' PHE . . . -140.31 118.19 11.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 91.8 m -99.28 136.56 39.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 92.0 t -128.93 115.26 35.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.143 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 7.8 m -87.02 124.55 33.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 16.3 mt -116.54 123.56 71.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.175 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -104.57 132.5 50.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 86' ' ' ALA . 39.5 t -98.14 115.24 37.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.092 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 68.7 p -98.18 164.3 12.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -69.16 176.49 3.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.516 HG11 ' HB3' ' A' ' 26' ' ' ASN . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.116 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.174 0 CA-C-O 120.826 0.261 . . . . 0.0 112.369 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.553 ' O ' HG23 ' A' ' 13' ' ' VAL . 32.3 m -82.5 118.32 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.091 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.455 ' CZ ' ' HB2' ' A' ' 94' ' ' ALA . 18.8 m-85 -63.22 111.53 2.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -38.12 -46.84 1.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -130.79 107.68 9.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.51 -93.83 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.446 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -87.1 122.57 31.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.889 0.376 . . . . 0.0 110.931 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 19.3 t -133.05 136.63 55.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.128 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -104.39 129.01 52.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.5 m -125.01 154.79 33.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -120.17 107.85 13.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.826 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.463 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 9.5 tt -124.1 135.75 26.74 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.608 0.718 . . . . 0.0 111.143 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.463 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.8 Cg_endo -69.78 145.15 56.17 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.7 2.267 . . . . 0.0 112.317 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -62.35 -31.99 72.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.576 ' HB2' HG21 ' A' ' 113' ' ' VAL . 26.5 m-20 -87.91 17.09 5.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.46 142.53 76.54 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.539 0.685 . . . . 0.0 111.142 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 128.17 15.67 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.677 2.252 . . . . 0.0 112.371 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 77' ' ' GLN . 12.0 p -56.24 130.44 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.141 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.66 15.18 23.4 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.459 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 87.8 m -88.92 131.14 35.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.791 0.329 . . . . 0.0 111.101 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.759 ' HA ' HG22 ' A' ' 75' ' ' THR . 85.1 p -69.32 116.01 9.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 85.2 t -87.29 -67.52 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.146 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.431 HG13 ' N ' ' A' ' 35' ' ' GLN . 7.6 tp -139.61 147.35 24.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.617 ' HB2' HD13 ' A' ' 73' ' ' LEU . 2.5 tp-100 -121.89 137.03 54.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.454 ' CD1' HG11 ' A' ' 92' ' ' VAL . 21.5 mt -102.52 133.58 47.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -125.84 105.96 9.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.593 ' O ' HD12 ' A' ' 49' ' ' ILE . . . -122.49 101.67 7.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.3 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.135 -179.883 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.593 HD12 ' O ' ' A' ' 38' ' ' ALA . 49.0 mt . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.821 0.343 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.426 ' CD ' ' O ' ' A' ' 69' ' ' ASN . 6.1 tpp85 -112.28 130.1 56.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.461 ' CD1' ' HA3' ' A' ' 72' ' ' GLY . 3.4 m-85 -101.05 136.11 41.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.62 HD11 HD12 ' A' ' 93' ' ' LEU . 2.9 pp -135.84 164.75 31.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.101 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.516 ' CZ ' ' HG2' ' A' ' 62' ' ' LYS . 18.1 m-85 -63.42 133.88 54.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -55.88 -170.08 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.501 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.69 155.49 18.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.754 0.311 . . . . 0.0 111.154 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 49.47 49.91 19.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.405 HG12 ' HE2' ' A' ' 62' ' ' LYS . 84.9 t -95.64 118.26 41.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.177 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.68 144.62 79.82 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.617 0.723 . . . . 0.0 111.039 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -44.37 2.11 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.645 2.23 . . . . 0.0 112.336 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -47.77 -40.38 20.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.076 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 87.5 m -68.19 -54.94 14.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.516 ' HG2' ' CZ ' ' A' ' 53' ' ' PHE . 42.9 mtmt -54.65 -34.51 62.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -58.42 -51.07 71.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.835 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 77' ' ' GLN . 2.3 mp -69.82 -52.67 23.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.952 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -104.89 131.46 52.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.503 ' HB2' ' HG3' ' A' ' 77' ' ' GLN . . . -105.13 159.91 15.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.428 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 18.1 tp -137.81 125.14 21.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 -95.0 131.73 40.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.426 ' O ' ' CD ' ' A' ' 50' ' ' ARG . 1.3 m120 -85.95 -15.53 41.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 90.0 m -89.42 -28.4 19.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 77.2 p -114.38 -26.96 7.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.157 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.461 ' HA3' ' CD1' ' A' ' 51' ' ' TYR . . . 69.13 28.51 72.77 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.513 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.617 HD13 ' HB2' ' A' ' 35' ' ' GLN . 29.7 tp -112.36 134.29 53.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.741 0.305 . . . . 0.0 110.944 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.438 HD11 HG21 ' A' ' 92' ' ' VAL . 55.8 mt -98.23 132.13 43.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.118 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.759 HG22 ' HA ' ' A' ' 32' ' ' SER . 23.6 p -139.05 159.58 41.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 45.9 t -67.51 100.3 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.503 ' HG3' ' HB2' ' A' ' 66' ' ' ALA . 4.4 tt0 -67.0 -49.82 64.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 38.5 mtp180 -137.66 162.93 32.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 10.3 t -46.68 156.05 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.9 mt -106.54 142.26 36.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.427 ' CG ' ' HG2' ' A' ' 83' ' ' GLU . 9.6 t0 -124.71 127.66 47.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' A' ' 84' ' ' GLU . 17.3 mtp180 -87.29 -42.7 12.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.427 ' HG2' ' CG ' ' A' ' 81' ' ' ASP . 12.5 pt-20 -39.25 -26.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 82' ' ' ARG . 21.8 tp10 -99.89 -56.88 2.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.652 HG21 ' CE1' ' A' ' 88' ' ' HIS . 14.0 t -138.82 133.6 32.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.135 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -97.43 -28.76 13.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.077 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 65.0 mt -120.71 133.67 66.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.169 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.652 ' CE1' HG21 ' A' ' 85' ' ' THR . 69.1 m-70 -113.83 140.56 48.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -125.79 105.8 9.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 52.0 t -114.15 134.91 55.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.16 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 8.4 m -116.64 131.28 56.99 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.133 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.454 HG11 ' CD1' ' A' ' 36' ' ' LEU . 33.5 t -121.6 137.15 56.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.151 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.62 HD12 HD11 ' A' ' 52' ' ' ILE . 55.3 mt -102.93 155.94 18.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.455 ' HB2' ' CZ ' ' A' ' 14' ' ' PHE . . . -135.38 114.39 12.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.423 ' O ' HG23 ' A' ' 49' ' ' ILE . 15.0 p . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.23 0.108 0 CA-C-O 120.768 0.237 . . . . 0.0 112.32 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -92.03 161.93 14.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.095 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 37.1 ptt180 -126.09 132.23 51.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -124.13 117.21 24.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 95.5 m -90.56 119.46 30.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.157 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 67.7 t -112.26 125.76 69.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 25.4 m -97.36 118.28 33.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.146 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 59.5 mt -107.45 101.71 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -85.36 125.13 32.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 24.2 t -94.14 115.67 33.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 78.7 p -97.55 169.3 9.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -83.23 -177.75 6.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.576 HG21 ' HB2' ' A' ' 26' ' ' ASN . 19.6 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.136 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.143 0 CA-C-O 120.843 0.268 . . . . 0.0 112.346 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.4 p -142.23 133.61 25.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.08 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.525 ' CZ ' ' HB2' ' A' ' 94' ' ' ALA . 6.1 m-85 -97.62 76.86 2.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt -38.84 133.12 1.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.57 ' O ' HG23 ' A' ' 19' ' ' VAL . 27.7 mt-10 62.11 46.41 6.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -40.42 -88.17 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.553 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.3 mp0 -72.06 118.69 15.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.831 0.348 . . . . 0.0 110.935 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 16' ' ' GLU . 43.7 t -140.66 151.02 20.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -115.61 140.77 48.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.8 m -136.06 163.02 35.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.147 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -131.54 104.43 6.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.407 HD11 ' CB ' ' A' ' 27' ' ' ALA . 1.9 tt -123.44 135.9 26.57 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.616 0.722 . . . . 0.0 111.137 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.412 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 53.2 Cg_endo -69.78 148.26 64.55 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.7 2.267 . . . . 0.0 112.353 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -59.16 -39.7 83.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.572 ' ND2' HG21 ' A' ' 113' ' ' VAL . 79.6 m-20 -85.36 13.35 6.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.412 ' HB2' ' O ' ' A' ' 24' ' ' PRO . . . -45.05 143.51 2.36 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.567 0.698 . . . . 0.0 111.104 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 129.86 18.32 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.702 2.268 . . . . 0.0 112.329 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.496 HG13 ' O ' ' A' ' 76' ' ' VAL . 96.1 t -56.82 134.19 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.118 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.5 12.21 36.2 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.521 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 39.0 m -89.78 121.87 32.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.747 0.308 . . . . 0.0 111.165 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.681 ' OG ' HD11 ' A' ' 73' ' ' LEU . 38.4 t -68.3 112.54 5.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.9 t -81.61 -54.84 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.109 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.902 HD13 ' N ' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -141.9 152.94 18.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.145 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.902 ' N ' HD13 ' A' ' 34' ' ' ILE . 21.2 tt0 -132.78 128.13 36.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.413 HD22 ' CD1' ' A' ' 14' ' ' PHE . 17.0 mt -106.48 142.72 35.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -133.93 107.11 7.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.834 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -125.99 109.21 12.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.8 p . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 -179.909 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.435 ' CG2' ' HB1' ' A' ' 94' ' ' ALA . 80.8 mt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.793 0.33 . . . . 0.0 111.123 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.2 mmt-85 -107.56 150.79 26.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.831 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.511 ' CD2' ' CA ' ' A' ' 72' ' ' GLY . 46.4 m-85 -110.82 104.96 13.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.447 HG22 ' ND2' ' A' ' 69' ' ' ASN . 8.6 pt -114.5 170.63 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.099 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.45 ' CD2' ' HD3' ' A' ' 62' ' ' LYS . 50.9 m-85 -64.97 141.59 58.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 91' ' ' THR . . . -78.45 -165.19 27.17 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.502 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.99 149.29 21.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.749 0.309 . . . . 0.0 111.082 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 60.24 51.14 5.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.5 t -114.39 115.86 50.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.03 150.52 14.86 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.573 0.701 . . . . 0.0 111.082 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -35.64 12.27 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.683 2.255 . . . . 0.0 112.308 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.3 -47.55 85.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.072 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.542 HG21 HG22 ' A' ' 90' ' ' VAL . 30.8 m -57.63 -31.46 66.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.122 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.45 ' HD3' ' CD2' ' A' ' 53' ' ' PHE . 47.5 mttt -67.22 -36.9 82.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.902 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.455 ' O ' ' NE2' ' A' ' 77' ' ' GLN . 51.2 ttt180 -78.78 -67.38 0.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.885 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 96.4 mt -41.4 -45.73 3.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.434 ' CZ ' HD22 ' A' ' 80' ' ' LEU . 92.3 m-85 -108.77 126.61 53.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.05 145.9 24.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 15.5 tp -127.09 136.69 52.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -99.63 126.37 45.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.447 ' ND2' HG22 ' A' ' 52' ' ' ILE . 4.7 m120 -87.18 -3.8 59.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 76.2 p -106.57 -24.78 12.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.171 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 28.2 p -125.23 -0.63 7.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.155 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.511 ' CA ' ' CD2' ' A' ' 51' ' ' TYR . . . 47.99 35.2 12.84 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.513 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.681 HD11 ' OG ' ' A' ' 32' ' ' SER . 22.3 tp -105.64 145.48 30.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.837 0.351 . . . . 0.0 110.887 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.46 HD12 ' CG2' ' A' ' 34' ' ' ILE . 72.9 mt -113.63 117.31 55.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 28.7 p -121.63 159.6 26.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.496 ' O ' HG13 ' A' ' 29' ' ' VAL . 46.3 t -74.68 118.35 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' A' ' 63' ' ' ARG . 7.1 tt0 -81.56 -45.46 15.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 42.3 mtp180 -150.92 169.01 22.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 t -45.93 162.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.434 HD22 ' CZ ' ' A' ' 65' ' ' PHE . 2.5 mt -123.63 166.32 15.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.919 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -131.55 125.2 31.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 33.6 ttp180 -85.81 -25.09 26.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -57.81 -25.91 61.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -92.35 -62.26 1.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.853 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.579 HG21 ' CE1' ' A' ' 88' ' ' HIS . 7.3 t -138.16 118.44 13.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.099 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -78.02 -38.0 45.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.097 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 87.5 mt -109.55 132.13 58.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.094 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.579 ' CE1' HG21 ' A' ' 85' ' ' THR . 44.5 m-70 -112.26 130.92 55.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 39.0 mttt -120.08 111.8 18.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.542 HG22 HG21 ' A' ' 61' ' ' THR . 88.5 t -118.03 137.25 52.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.839 HG23 ' O ' ' A' ' 104' ' ' ALA . 60.7 m -121.48 130.25 53.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.156 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 84.0 t -113.58 150.08 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' A' ' 103' ' ' ARG . 17.0 mt -125.24 137.07 54.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.525 ' HB2' ' CZ ' ' A' ' 14' ' ' PHE . . . -112.4 107.74 16.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.1 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 86.1 p . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.79 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.23 0.117 0 CA-C-O 120.752 0.23 . . . . 0.0 112.334 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.67 158.94 31.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.096 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.472 ' HA ' HD23 ' A' ' 93' ' ' LEU . 34.4 ptt85 -122.93 150.08 43.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.912 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.839 ' O ' HG23 ' A' ' 91' ' ' THR . . . -142.04 152.52 43.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 11.8 m -129.64 134.83 47.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.118 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 45.1 t -130.0 131.88 65.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.2 m -103.13 121.32 42.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 37.4 mt -113.4 133.79 58.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -112.33 143.25 43.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 57.1 t -119.06 107.77 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.133 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.455 ' OG1' ' N ' ' A' ' 112' ' ' ASP . 0.1 OUTLIER -104.38 171.46 7.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.074 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.455 ' N ' ' OG1' ' A' ' 111' ' ' THR . 27.5 t70 -61.22 169.29 2.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.572 HG21 ' ND2' ' A' ' 26' ' ' ASN . 1.3 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.082 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 C--O 1.232 0.187 0 CA-C-O 120.79 0.246 . . . . 0.0 112.342 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.7 p -80.56 131.22 34.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -92.9 104.15 16.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.6 tttm -75.85 135.94 40.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 61.34 43.67 10.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.86 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -40.41 -64.95 1.06 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.481 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -93.51 126.06 38.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 0.0 110.916 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 79.6 t -153.09 135.27 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.493 ' CG ' ' OD1' ' A' ' 109' ' ' ASN . 6.8 tt0 -98.22 120.96 39.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.6 m -118.2 153.85 20.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 7.3 p-80 -113.63 129.21 56.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.476 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 5.3 tt -149.05 136.37 10.96 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.693 0.758 . . . . 0.0 111.115 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.476 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.8 Cg_endo -69.72 150.33 68.34 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.725 2.284 . . . . 0.0 112.336 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -68.29 -30.99 70.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 40.1 m-20 -88.5 7.19 34.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -40.21 142.56 0.71 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.604 0.716 . . . . 0.0 111.056 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 130.66 19.74 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.704 2.269 . . . . 0.0 112.345 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 19.4 t -51.7 121.05 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 106.79 15.84 15.63 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.508 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 90.5 m -78.11 140.67 39.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.782 0.325 . . . . 0.0 111.166 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.4 p -79.98 110.21 15.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 57.6 t -85.09 -73.05 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.118 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.513 HG21 HG11 ' A' ' 106' ' ' VAL . 4.4 tp -138.51 142.67 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.191 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.434 ' N ' HG13 ' A' ' 34' ' ' ILE . 40.6 tt0 -115.63 105.48 12.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.951 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.569 ' CD1' HG21 ' A' ' 92' ' ' VAL . 18.7 mt -80.29 123.8 28.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -111.25 107.32 16.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -131.22 96.13 3.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.076 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 77.2 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 -179.926 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.555 HG21 ' HB1' ' A' ' 94' ' ' ALA . 14.1 mt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.796 0.332 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.4 mmm-85 -105.11 125.94 51.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -89.89 127.87 36.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.952 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 7.6 pt -128.72 161.75 37.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.133 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -62.83 140.28 58.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -66.77 -150.93 0.15 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.501 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -104.48 152.48 22.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.755 0.312 . . . . 0.0 111.063 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 51.11 52.13 15.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.2 t -99.22 134.59 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.97 143.41 97.96 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.564 0.697 . . . . 0.0 111.115 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -42.77 3.04 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.644 2.23 . . . . 0.0 112.358 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -47.81 -53.06 16.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.094 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 94.1 m -59.74 -62.74 1.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.7 mtpp -39.21 -30.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -83.11 -50.93 7.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.501 HD22 ' O ' ' A' ' 79' ' ' SER . 76.8 mt -59.72 -52.8 63.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -99.21 132.31 44.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -104.2 117.43 34.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.108 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 30.7 tp -93.13 88.82 6.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.916 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -49.75 124.82 10.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -92.79 26.0 2.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.3 p -122.86 -28.71 4.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.171 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 29.9 p -126.32 -28.71 3.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.11 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.41 35.57 16.88 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.471 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.3 tp -112.59 132.18 55.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.784 0.326 . . . . 0.0 110.942 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 10.3 mm -83.78 136.2 23.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.162 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 40.2 p -139.86 174.99 9.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.088 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 93.5 t -100.92 111.16 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.148 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -82.99 -38.16 23.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.8 mtp85 -143.94 154.54 43.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.501 ' O ' HD22 ' A' ' 64' ' ' LEU . 4.0 m -44.11 155.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.8 mt -115.77 163.35 15.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -126.63 127.37 45.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.2 -41.53 16.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -50.11 -45.98 53.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -69.92 -64.86 0.8 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.735 HG21 ' CE1' ' A' ' 88' ' ' HIS . 7.4 t -124.54 136.98 54.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.12 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -96.47 -34.07 11.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.704 HG21 ' HE3' ' A' ' 89' ' ' LYS . 58.0 mt -120.69 147.67 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.735 ' CE1' HG21 ' A' ' 85' ' ' THR . 54.5 m-70 -127.46 115.48 18.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.704 ' HE3' HG21 ' A' ' 87' ' ' ILE . 0.9 OUTLIER -101.05 111.97 24.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 72.0 t -113.62 112.61 41.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.094 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 17.6 m -88.18 136.78 32.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.569 HG21 ' CD1' ' A' ' 36' ' ' LEU . 58.3 t -124.46 129.54 73.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 59.1 mt -114.98 131.91 56.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.555 ' HB1' HG21 ' A' ' 49' ' ' ILE . . . -115.38 108.38 16.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.082 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.3 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.759 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.466 -0.121 0 CA-C-O 120.805 0.252 . . . . 0.0 112.325 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -83.7 147.57 27.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.096 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 -114.95 136.41 53.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -143.44 123.62 13.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.162 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 54.7 m -102.09 137.63 40.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.152 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.513 HG11 HG21 ' A' ' 34' ' ' ILE . 77.8 t -120.49 112.74 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.171 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.4 m -74.92 118.59 18.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.117 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 60.7 mt -116.08 110.19 30.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.19 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.51 ' N ' ' ND2' ' A' ' 109' ' ' ASN . 0.8 OUTLIER -86.68 149.74 24.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 65.7 t -113.62 113.68 44.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 40.2 p -102.46 170.85 7.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -101.36 144.66 29.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.886 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 31.0 m . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.123 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.156 0 CA-C-O 120.838 0.266 . . . . 0.0 112.323 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 93.3 t -148.79 130.78 5.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.898 ' CD2' ' HB2' ' A' ' 104' ' ' ALA . 22.9 m-85 -75.74 139.95 42.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.5 tptt -42.77 -47.73 5.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -151.38 116.24 5.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -42.88 -68.31 0.79 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.466 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -110.29 134.28 52.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.876 0.37 . . . . 0.0 110.908 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.5 t -146.05 143.91 21.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -109.5 131.24 55.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.9 m -121.95 147.19 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.524 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 7.0 p-80 -115.02 114.76 25.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.473 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 4.5 tt -139.19 136.52 18.16 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.651 0.739 . . . . 0.0 111.113 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.473 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.8 Cg_endo -69.82 155.6 65.32 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.68 2.253 . . . . 0.0 112.367 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -70.58 -37.72 73.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 27' ' ' ALA . 60.5 t30 -78.09 -0.4 27.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 26' ' ' ASN . . . -36.51 143.71 0.3 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.63 0.729 . . . . 0.0 111.049 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 130.85 20.09 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.682 2.255 . . . . 0.0 112.372 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.5 t -54.82 124.66 8.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.84 -7.01 25.76 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.513 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 24.2 m -60.86 144.38 52.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.815 0.34 . . . . 0.0 111.128 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.7 p -85.17 107.83 17.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.849 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.412 HG21 ' HD2' ' A' ' 65' ' ' PHE . 38.9 t -72.77 -72.08 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.125 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.732 ' CG2' HD12 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -138.74 141.12 37.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.142 179.924 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.477 ' N ' HD13 ' A' ' 34' ' ' ILE . 2.1 tp-100 -120.19 123.93 44.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.541 HD22 ' CD1' ' A' ' 14' ' ' PHE . 54.7 mt -101.53 124.05 46.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 51.9 m80 -106.34 106.64 17.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -119.82 111.11 17.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 71.9 p . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.176 -179.923 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.801 HG23 ' O ' ' A' ' 95' ' ' SER . 95.6 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.834 0.35 . . . . 0.0 111.097 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.6 mtm180 -92.89 133.47 36.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.576 ' CD1' ' HA3' ' A' ' 72' ' ' GLY . 77.2 m-85 -101.46 111.88 24.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 44.2 pt -110.74 174.83 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.121 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.475 ' CE1' ' HG2' ' A' ' 62' ' ' LYS . 54.1 m-85 -76.94 140.31 40.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -60.36 -154.91 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.457 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -104.49 154.1 20.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.773 0.32 . . . . 0.0 111.083 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 48.57 47.31 20.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 96.5 t -101.8 117.71 47.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.17 147.86 64.36 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.546 0.688 . . . . 0.0 111.148 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -42.54 3.32 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.668 2.246 . . . . 0.0 112.381 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -47.54 -47.42 28.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 99.8 m -63.41 -31.39 72.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.121 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.475 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 9.9 mtmp? -79.25 -16.83 55.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -76.07 -59.04 2.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.44 ' CD2' ' HA ' ' A' ' 80' ' ' LEU . 9.5 mp -60.64 -48.4 81.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.476 ' CZ ' HD22 ' A' ' 80' ' ' LEU . 78.9 m-85 -101.16 138.32 38.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -118.85 125.36 49.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.117 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.3 tp -99.51 124.33 44.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -78.99 115.37 18.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -79.04 9.25 4.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 46.9 p -116.21 -28.67 6.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.145 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 82.5 p -130.5 16.5 5.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.576 ' HA3' ' CD1' ' A' ' 51' ' ' TYR . . . 38.54 41.69 1.21 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.502 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.5 tp -115.11 131.21 57.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.8 0.333 . . . . 0.0 110.903 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.732 HD12 ' CG2' ' A' ' 34' ' ' ILE . 65.9 mt -98.91 119.15 46.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.199 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.3 p -118.1 162.6 17.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 86.0 t -79.86 107.03 11.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -69.45 -52.67 24.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 50.9 mtp180 -141.13 170.17 16.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.8 p -47.11 153.56 0.44 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.476 HD22 ' CZ ' ' A' ' 65' ' ' PHE . 6.2 mt -105.88 150.0 26.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.954 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -120.65 152.88 37.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.822 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 84' ' ' GLU . 14.0 mtm105 -116.68 -40.15 3.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -40.57 -26.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 82' ' ' ARG . 0.6 OUTLIER -98.96 -59.58 1.7 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.591 HG21 ' CE1' ' A' ' 88' ' ' HIS . 14.6 t -137.84 137.38 38.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -98.8 -43.42 6.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 47.4 mm -100.44 138.84 23.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.151 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.591 ' CE1' HG21 ' A' ' 85' ' ' THR . 58.2 m-70 -123.78 116.76 23.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.787 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.1 mttm -108.83 105.32 14.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 67.3 t -110.42 131.69 60.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 45.3 m -108.55 113.63 26.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.144 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 38.2 t -98.7 143.72 12.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 74.0 mt -109.95 155.53 21.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -141.5 123.4 15.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.087 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.801 ' O ' HG23 ' A' ' 49' ' ' ILE . 10.4 t . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.794 0.248 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.14 141.41 57.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.098 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 12.8 ptt-85 -111.37 149.34 31.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.828 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.898 ' HB2' ' CD2' ' A' ' 14' ' ' PHE . . . -149.64 122.07 8.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.071 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 87.4 m -88.83 135.53 33.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 88.0 t -125.46 132.57 70.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.156 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.8 m -106.76 114.75 29.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 19.7 mt -106.03 131.69 54.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.173 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -114.78 133.45 55.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 48.4 t -98.45 115.21 38.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 44.4 p -100.56 154.28 18.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.173 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -58.24 179.67 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.833 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.444 ' CG1' ' HB2' ' A' ' 24' ' ' PRO . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--O 1.231 0.161 0 CA-C-O 120.813 0.256 . . . . 0.0 112.302 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.5 m -100.26 126.71 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.123 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 1.024 ' CD1' HD22 ' A' ' 36' ' ' LEU . 79.7 m-85 -63.69 165.86 7.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.9 ptmt -66.39 -51.04 61.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -132.88 127.45 34.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -38.57 -61.43 1.29 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.461 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.95 159.74 39.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.845 0.355 . . . . 0.0 110.896 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 60.8 t -150.01 133.98 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.105 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -101.14 135.1 43.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 32.4 m -132.38 165.81 31.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 -133.21 115.03 14.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.821 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.466 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 6.9 tt -127.76 136.23 28.67 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.644 0.735 . . . . 0.0 111.153 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.466 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.5 Cg_endo -69.81 137.35 35.12 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.648 2.232 . . . . 0.0 112.36 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -50.99 -40.52 58.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.474 ' HB2' HG11 ' A' ' 113' ' ' VAL . 8.3 m-80 -85.65 24.22 1.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.46 ' HB2' ' O ' ' A' ' 24' ' ' PRO . . . -59.64 143.28 86.78 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.579 0.704 . . . . 0.0 111.109 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 128.07 15.5 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.669 2.246 . . . . 0.0 112.337 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.551 HG13 ' O ' ' A' ' 76' ' ' VAL . 94.4 t -53.19 122.3 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.37 15.83 10.99 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.514 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 24.8 m -87.45 116.72 25.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.806 0.336 . . . . 0.0 111.116 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.432 ' HA ' HG22 ' A' ' 75' ' ' THR . 78.3 p -58.67 106.48 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 65.5 t -78.17 -61.32 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.107 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.522 ' CG2' HD12 ' A' ' 74' ' ' ILE . 6.4 tp -144.71 146.55 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.444 ' N ' HG13 ' A' ' 34' ' ' ILE . 20.1 tt0 -128.44 125.64 38.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 1.024 HD22 ' CD1' ' A' ' 14' ' ' PHE . 19.9 mt -100.55 127.92 46.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 63.2 t60 -112.71 105.79 14.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -129.99 103.7 6.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 32.6 p . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 -179.895 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 75.1 mt . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.778 0.323 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.49 ' CD ' ' HB3' ' A' ' 69' ' ' ASN . 13.1 tpp180 -108.86 120.38 42.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.45 ' O ' ' CG ' ' A' ' 69' ' ' ASN . 41.5 m-85 -93.91 120.5 34.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.964 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.626 HG22 ' OD1' ' A' ' 69' ' ' ASN . 0.2 OUTLIER -136.34 167.24 24.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.148 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -68.11 147.57 52.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -65.39 -155.29 0.22 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.495 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.72 156.05 17.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.723 0.296 . . . . 0.0 111.075 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 60.37 42.0 15.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 44.5 t -100.75 130.75 49.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.082 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.79 149.36 87.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.612 0.72 . . . . 0.0 111.06 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -49.86 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.659 2.239 . . . . 0.0 112.354 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -40.9 -47.3 2.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.101 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.576 HG21 HG22 ' A' ' 90' ' ' VAL . 84.9 m -57.57 -46.02 84.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.16 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -58.91 -61.97 2.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 43.9 ttt180 -37.91 -48.19 1.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.8 mp -67.17 -58.38 4.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.741 ' CZ ' HD22 ' A' ' 80' ' ' LEU . 75.8 m-85 -105.03 122.56 46.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -99.78 139.63 35.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.097 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 50.2 tp -114.03 135.03 54.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 45.4 m-20 -100.36 143.45 30.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.76 HD22 ' N ' ' A' ' 69' ' ' ASN . 0.6 OUTLIER -98.59 -4.98 32.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.8 p -105.19 -24.76 12.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 80.2 p -122.39 -14.91 7.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.089 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 54.84 39.58 68.57 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.438 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.427 HD13 ' HB2' ' A' ' 35' ' ' GLN . 14.8 tp -120.95 127.93 52.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.8 0.333 . . . . 0.0 110.944 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.522 HD12 ' CG2' ' A' ' 34' ' ' ILE . 55.0 mt -94.49 124.05 46.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.432 HG22 ' HA ' ' A' ' 32' ' ' SER . 20.1 p -125.99 159.9 31.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.158 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.551 ' O ' HG13 ' A' ' 29' ' ' VAL . 95.2 t -72.19 105.64 2.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.127 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -80.06 -44.37 20.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 76.8 mtt-85 -136.47 164.11 28.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.3 t -48.92 153.79 0.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.741 HD22 ' CZ ' ' A' ' 65' ' ' PHE . 3.7 mt -108.46 142.4 38.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -112.08 119.98 40.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -82.95 -51.35 7.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.818 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -42.1 -47.67 4.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -69.09 -63.39 1.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.7 HG21 ' CE1' ' A' ' 88' ' ' HIS . 11.9 t -130.72 128.41 40.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -88.46 -48.16 7.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.079 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 21.9 mt -108.13 133.77 52.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.7 ' CE1' HG21 ' A' ' 85' ' ' THR . 26.5 m-70 -110.58 116.18 30.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.3 mmtp -101.32 108.53 20.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.576 HG22 HG21 ' A' ' 61' ' ' THR . 57.5 t -122.21 127.01 75.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.108 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 11.7 m -106.75 131.59 53.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 88.6 t -105.96 145.0 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 93' ' ' LEU . 13.5 mt -116.42 132.71 56.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -118.87 117.96 30.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.08 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 45.8 t . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.785 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.23 0.114 0 CA-C-O 120.812 0.255 . . . . 0.0 112.344 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -87.33 156.93 19.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.126 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 5.1 ptp85 -131.39 145.49 51.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -139.31 120.29 14.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.099 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 62.3 m -83.23 125.69 31.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.191 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.451 HG11 HG21 ' A' ' 34' ' ' ILE . 99.3 t -117.71 121.62 67.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.094 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 12.0 m -98.3 120.95 39.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.085 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 27.6 mt -114.94 107.31 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -89.53 146.82 24.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 76.2 t -109.85 117.15 54.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 21.5 p -96.69 171.75 8.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.193 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -81.0 157.98 25.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 113' ' ' VAL . 33.0 m . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.193 0 CA-C-O 120.842 0.267 . . . . 0.0 112.331 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.8 p -173.12 131.1 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.507 ' CD1' HD23 ' A' ' 36' ' ' LEU . 15.7 m-85 -83.32 121.92 27.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 14' ' ' PHE . 25.5 ttmt -37.07 -53.72 0.99 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -135.76 126.04 26.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.51 -60.1 8.77 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.497 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -112.75 128.92 56.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.871 0.367 . . . . 0.0 110.875 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.6 t -134.59 117.4 23.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -89.62 126.4 35.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.6 m -118.14 153.75 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.525 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 27.9 p-80 -117.4 113.92 22.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.468 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 0.7 OUTLIER -140.39 138.58 19.14 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.634 0.73 . . . . 0.0 111.141 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.468 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 54.0 Cg_endo -69.75 151.0 68.99 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.644 2.23 . . . . 0.0 112.386 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.455 ' HB3' ' CG1' ' A' ' 110' ' ' VAL . 21.3 pt-20 -64.83 -32.96 74.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.435 ' O ' ' CG ' ' A' ' 26' ' ' ASN . 31.2 t30 -94.19 27.67 2.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.937 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.414 ' CB ' HD11 ' A' ' 23' ' ' ILE . . . -58.19 144.08 77.6 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.613 0.72 . . . . 0.0 111.11 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 133.22 25.04 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.671 2.247 . . . . 0.0 112.337 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.464 HG13 ' O ' ' A' ' 76' ' ' VAL . 94.6 t -55.53 129.1 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.108 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 107.77 2.83 34.62 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.527 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 25.5 m -78.65 128.01 32.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.786 0.327 . . . . 0.0 111.188 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.89 114.48 8.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.6 t -85.54 -67.38 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.157 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.7 tp -141.64 140.67 30.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.13 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.528 ' HB2' HD13 ' A' ' 73' ' ' LEU . 31.4 tt0 -131.37 129.06 40.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.507 HD23 ' CD1' ' A' ' 14' ' ' PHE . 5.0 mp -98.23 148.93 23.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.952 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -135.36 106.53 6.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -126.68 127.79 45.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 77.2 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 -179.909 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 80.6 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.837 0.351 . . . . 0.0 111.158 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 22.1 mmt-85 -98.34 127.37 44.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.425 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 9.9 m-85 -102.05 141.68 34.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 27.2 pt -141.33 178.15 3.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.106 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.539 ' CE1' ' HG2' ' A' ' 62' ' ' LYS . 42.4 m-85 -79.38 139.13 37.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -69.11 -176.4 13.22 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.467 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.58 154.85 21.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.779 0.323 . . . . 0.0 111.073 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 55.34 52.28 11.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 85.1 t -113.9 112.67 41.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -46.67 144.51 3.51 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.552 0.691 . . . . 0.0 111.096 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -30.03 22.78 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.67 2.247 . . . . 0.0 112.366 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.24 -36.0 82.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.067 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.568 HG21 HG22 ' A' ' 90' ' ' VAL . 24.7 m -70.2 -43.23 71.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.158 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.539 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 36.0 mtmt -67.52 -30.98 70.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -76.84 -38.06 54.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 43.8 mt -76.61 -34.43 58.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.946 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -112.64 125.85 54.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.56 130.37 44.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.133 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 41.1 tp -109.87 137.2 47.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -100.97 118.2 36.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.425 ' ND2' ' O ' ' A' ' 51' ' ' TYR . 1.0 OUTLIER -82.06 2.78 29.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.4 p -113.6 -23.6 9.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.169 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 63.8 p -124.64 -12.02 7.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 56.74 39.48 87.0 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.481 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.528 HD13 ' HB2' ' A' ' 35' ' ' GLN . 20.8 tp -120.62 131.69 54.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.773 0.321 . . . . 0.0 110.883 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 70.4 mt -101.72 128.64 53.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.14 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 31.8 p -129.2 159.48 35.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.464 ' O ' HG13 ' A' ' 29' ' ' VAL . 97.7 t -72.31 106.17 2.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -79.06 -35.45 42.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 33.7 mtt-85 -145.9 164.83 30.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.9 t -58.5 146.35 35.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.816 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.1 mt -109.92 152.72 25.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -130.65 158.37 40.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.835 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.424 ' O ' ' N ' ' A' ' 84' ' ' GLU . 11.1 mtt180 -100.4 -38.51 8.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -41.95 -24.86 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 82' ' ' ARG . 2.0 tm-20 -99.35 -65.34 0.97 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.675 HG21 ' CE1' ' A' ' 88' ' ' HIS . 10.4 t -137.69 121.32 17.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.146 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -78.39 -44.44 24.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.118 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 88.8 mt -109.91 138.52 37.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.675 ' CE1' HG21 ' A' ' 85' ' ' THR . 25.1 m-70 -114.93 118.42 33.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -103.14 105.08 15.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.568 HG22 HG21 ' A' ' 61' ' ' THR . 57.3 t -114.54 129.78 70.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.124 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 14.8 m -113.47 129.53 56.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 59.8 t -106.93 145.77 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.629 HD21 ' HD3' ' A' ' 103' ' ' ARG . 53.9 mt -119.47 129.23 54.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -120.84 119.31 32.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 35.4 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.828 -179.757 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 N--CA 1.466 -0.117 0 CA-C-O 120.841 0.267 . . . . 0.0 112.295 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -98.43 129.17 45.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.629 ' HD3' HD21 ' A' ' 93' ' ' LEU . 12.2 mmt85 -90.62 144.48 25.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.456 ' HB2' ' CD2' ' A' ' 14' ' ' PHE . . . -145.64 118.39 8.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.093 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 26.1 m -102.84 132.91 48.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.14 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 47.7 t -126.24 122.74 62.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.074 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 25.5 m -95.1 107.81 19.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 41.2 mt -101.42 102.54 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -85.11 129.16 34.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.455 ' CG1' ' HB3' ' A' ' 25' ' ' GLU . 92.4 t -95.76 118.23 41.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.127 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 68.2 p -97.13 155.96 16.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.08 173.92 3.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.461 ' CG1' ' HB2' ' A' ' 24' ' ' PRO . 2.8 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.125 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.156 0 CA-C-O 120.827 0.261 . . . . 0.0 112.34 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 84.1 t -85.93 137.01 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.77 ' CD2' ' HB2' ' A' ' 104' ' ' ALA . 7.7 m-85 -86.18 149.29 25.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.7 ttpt -63.75 -50.93 67.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.8 mp0 -138.58 110.42 7.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -47.55 -54.71 10.34 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.49 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -120.03 136.91 54.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.84 0.353 . . . . 0.0 110.917 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 52.1 t -147.13 125.95 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -95.14 132.66 39.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.1 m -128.46 149.26 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -112.3 105.79 14.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.478 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 8.8 tt -120.75 136.04 25.16 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.679 0.752 . . . . 0.0 111.103 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.688 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 53.4 Cg_endo -69.78 162.46 41.98 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.699 2.266 . . . . 0.0 112.318 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -82.7 -19.15 38.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.879 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.483 ' HB3' HG11 ' A' ' 113' ' ' VAL . 33.0 t30 -105.19 19.3 20.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.688 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -56.58 143.88 66.18 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.593 0.711 . . . . 0.0 111.089 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 149.24 66.93 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.686 2.257 . . . . 0.0 112.32 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.4 t -69.85 117.25 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.065 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 118.62 1.47 15.3 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.7 m -67.17 153.19 44.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.811 0.339 . . . . 0.0 111.1 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.9 p -93.26 121.24 34.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 89.7 t -91.43 -70.18 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.4 HG13 ' N ' ' A' ' 35' ' ' GLN . 4.3 tp -136.91 141.32 40.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.4 ' N ' HG13 ' A' ' 34' ' ' ILE . 23.2 tt0 -113.08 97.9 6.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.556 HD12 HG21 ' A' ' 92' ' ' VAL . 34.1 mt -88.51 136.76 32.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -136.14 127.74 28.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -132.58 133.19 43.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.068 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.7 p . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 -179.912 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 70.0 mt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.861 0.362 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.446 ' CD ' ' O ' ' A' ' 69' ' ' ASN . 17.7 mmt85 -96.28 143.44 27.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.526 ' CD1' ' CA ' ' A' ' 72' ' ' GLY . 65.6 m-85 -113.28 113.85 25.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 20.4 pt -120.58 160.47 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.113 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -67.26 131.71 46.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.498 ' HA2' HD23 ' A' ' 93' ' ' LEU . . . -57.94 -166.96 0.12 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.14 155.81 16.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.748 0.309 . . . . 0.0 111.086 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 60.7 42.11 14.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 93.0 t -106.91 117.47 52.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.119 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -48.04 146.56 4.17 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.534 0.683 . . . . 0.0 111.141 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -36.41 10.83 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.677 2.252 . . . . 0.0 112.34 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.98 -47.58 84.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.075 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 43.3 m -59.03 -41.65 88.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.7 mtmt -68.2 -27.21 66.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.862 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 40.5 mtm180 -74.06 -52.41 12.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.672 HD12 HD23 ' A' ' 80' ' ' LEU . 3.9 mm? -59.5 -51.34 70.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.953 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.416 ' HB3' ' CG2' ' A' ' 74' ' ' ILE . 73.8 m-85 -104.47 134.49 47.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.443 ' HB2' HE21 ' A' ' 77' ' ' GLN . . . -107.67 130.98 54.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.1 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 30.9 tp -93.93 121.91 35.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -82.81 111.02 18.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.446 ' O ' ' CD ' ' A' ' 50' ' ' ARG . 1.2 m120 -83.64 18.92 1.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 27.3 p -117.66 -28.88 5.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 34.4 p -126.53 -26.11 3.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.136 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.526 ' CA ' ' CD1' ' A' ' 51' ' ' TYR . . . 89.46 25.53 27.91 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.523 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.834 ' CD2' HG23 ' A' ' 75' ' ' THR . 7.1 tt -110.87 149.0 31.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.773 0.32 . . . . 0.0 110.934 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.416 ' CG2' ' HB3' ' A' ' 65' ' ' PHE . 99.6 mt -111.9 123.86 68.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.163 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.834 HG23 ' CD2' ' A' ' 73' ' ' LEU . 5.2 p -119.27 172.45 7.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 47.4 t -80.52 112.96 19.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.443 HE21 ' HB2' ' A' ' 66' ' ' ALA . 23.8 tt0 -78.02 -40.13 39.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.958 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.4 ' HG3' ' C ' ' A' ' 77' ' ' GLN . 61.1 mtt180 -151.21 173.51 14.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.4 t -58.72 134.31 56.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.672 HD23 HD12 ' A' ' 64' ' ' LEU . 3.6 mt -89.96 155.77 18.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.931 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -122.13 114.74 21.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.811 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -72.65 -49.17 33.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -44.92 -34.85 2.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -79.38 -63.76 1.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.597 HG21 ' CE1' ' A' ' 88' ' ' HIS . 7.5 t -131.58 133.39 44.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.121 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -97.51 -29.56 13.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 47.4 mt -124.27 132.42 71.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.597 ' CE1' HG21 ' A' ' 85' ' ' THR . 34.8 m-70 -112.36 145.19 40.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -126.68 108.69 11.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.956 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 50.4 t -121.88 138.57 51.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.161 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 23.0 m -119.37 118.3 30.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.556 HG21 HD12 ' A' ' 36' ' ' LEU . 49.3 t -99.46 107.78 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.717 HD12 ' HG2' ' A' ' 101' ' ' PRO . 4.2 mm? -84.44 142.7 29.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -118.48 112.83 20.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.873 -179.814 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . 0.717 ' HG2' HD12 ' A' ' 93' ' ' LEU . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.158 0 CA-C-O 120.772 0.238 . . . . 0.0 112.353 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.51 ' O ' HD13 ' A' ' 93' ' ' LEU . . . -68.47 136.96 54.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.08 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 24.6 mtt180 -97.75 124.64 42.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.926 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.77 ' HB2' ' CD2' ' A' ' 14' ' ' PHE . . . -135.18 116.1 14.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.108 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 88.6 m -95.55 137.75 34.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 81.3 t -130.1 102.92 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 6.5 m -72.16 128.32 35.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 33.6 mt -119.84 101.55 11.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -84.76 133.41 34.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 86.5 t -93.58 121.49 44.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.098 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 72.3 p -107.12 147.84 29.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.15 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -66.61 160.27 25.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.483 HG11 ' HB3' ' A' ' 26' ' ' ASN . 15.4 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.162 0 CA-C-O 120.831 0.263 . . . . 0.0 112.37 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.2 p -104.52 126.43 59.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.473 ' CZ ' ' HB2' ' A' ' 94' ' ' ALA . 22.7 m-85 -75.7 117.46 17.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 14' ' ' PHE . 49.9 tttt -36.14 -53.87 0.79 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.406 ' HB3' ' CG2' ' A' ' 19' ' ' VAL . 6.8 mt-10 -127.8 126.53 41.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.09 -70.32 1.27 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.464 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -105.59 120.15 40.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.822 0.344 . . . . 0.0 110.929 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.406 ' CG2' ' HB3' ' A' ' 16' ' ' GLU . 20.5 t -131.94 135.88 57.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -106.22 127.68 53.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.543 HG21 ' CG1' ' A' ' 33' ' ' VAL . 18.5 m -127.54 147.74 32.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.496 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 27.0 p-80 -110.96 116.54 31.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.842 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.468 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 2.8 tt -134.05 136.94 27.18 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.658 0.742 . . . . 0.0 111.119 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.468 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.6 Cg_endo -69.74 144.4 54.01 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.697 2.264 . . . . 0.0 112.327 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -59.36 -35.25 73.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.781 ' HB2' HG21 ' A' ' 113' ' ' VAL . 39.1 t30 -91.15 29.4 1.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.27 143.96 97.59 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.569 0.7 . . . . 0.0 111.109 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 135.68 31.12 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.704 2.269 . . . . 0.0 112.293 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.451 HG13 ' O ' ' A' ' 76' ' ' VAL . 77.7 t -60.65 126.21 18.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.105 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.93 12.29 20.83 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.515 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 24.7 m -87.4 121.72 30.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.752 0.31 . . . . 0.0 111.127 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.747 ' HB2' HD11 ' A' ' 73' ' ' LEU . 97.6 p -70.69 105.03 3.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.543 ' CG1' HG21 ' A' ' 21' ' ' VAL . 93.8 t -73.9 -55.91 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.147 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.424 HG21 HG11 ' A' ' 106' ' ' VAL . 7.4 tt -145.03 142.94 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.114 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -114.25 107.01 15.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.51 HD12 HG21 ' A' ' 92' ' ' VAL . 97.0 mt -91.28 121.86 33.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.879 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.479 ' CD2' HG23 ' A' ' 39' ' ' THR . 2.4 t-160 -121.34 108.04 13.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -107.1 99.92 9.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.081 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.479 HG23 ' CD2' ' A' ' 37' ' ' HIS . 29.8 p . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 10.4 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.813 0.34 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 45.2 mmm-85 -89.39 150.96 22.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -126.74 124.23 39.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.46 HD11 HD12 ' A' ' 93' ' ' LEU . 20.9 pt -133.24 171.2 18.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.107 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.401 ' CZ ' ' CB ' ' A' ' 67' ' ' LEU . 60.8 m-85 -78.84 144.23 35.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -73.5 -168.29 14.97 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.489 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -89.83 158.53 17.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.757 0.313 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 61.02 41.81 13.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 87.0 t -109.25 128.63 65.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.09 144.83 99.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.593 0.711 . . . . 0.0 111.139 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -44.09 2.25 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.664 2.243 . . . . 0.0 112.308 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.21 -48.02 62.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.129 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.474 HG21 HG22 ' A' ' 90' ' ' VAL . 40.8 m -59.79 -37.79 80.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.162 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -72.23 -29.6 64.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 41.2 mtm-85 -74.62 -49.82 20.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.435 HD22 ' O ' ' A' ' 79' ' ' SER . 91.3 mt -67.24 -36.87 82.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -109.2 121.79 45.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.36 137.29 32.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.401 ' CB ' ' CZ ' ' A' ' 53' ' ' PHE . 53.3 tp -111.8 132.31 54.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -95.59 138.57 33.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -101.71 5.03 41.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 43.1 p -117.79 -27.06 6.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.139 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.7 p -123.28 -18.35 6.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.127 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 63.41 23.98 67.14 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.462 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.747 HD11 ' HB2' ' A' ' 32' ' ' SER . 17.3 tp -96.99 121.91 39.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.788 0.328 . . . . 0.0 110.923 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 73.4 mt -89.35 125.91 42.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.523 HG22 ' HA ' ' A' ' 32' ' ' SER . 31.3 p -131.14 166.65 20.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.164 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.451 ' O ' HG13 ' A' ' 29' ' ' VAL . 91.8 t -78.2 126.08 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -96.13 -40.45 9.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.4 ' CB ' HH11 ' A' ' 78' ' ' ARG . 5.3 mtm105 -143.28 166.26 25.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.435 ' O ' HD22 ' A' ' 64' ' ' LEU . 48.8 p -50.47 151.31 2.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.8 mt -110.23 149.79 29.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.936 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -122.98 137.13 55.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 84' ' ' GLU . 51.1 ttp85 -100.22 -42.75 6.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -39.01 -28.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 82' ' ' ARG . 6.2 tp10 -96.02 -60.02 1.72 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.856 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.545 HG21 ' CE1' ' A' ' 88' ' ' HIS . 13.3 t -136.6 130.68 32.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.168 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -99.59 -9.82 22.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 86.9 mt -130.77 140.09 49.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.545 ' CE1' HG21 ' A' ' 85' ' ' THR . 74.0 m-70 -126.51 133.18 51.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.9 mmtp -117.14 123.17 46.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.474 HG22 HG21 ' A' ' 61' ' ' THR . 44.1 t -134.65 137.81 50.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 16.8 m -118.42 137.25 53.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.51 HG21 HD12 ' A' ' 36' ' ' LEU . 87.2 t -112.67 146.75 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.46 HD12 HD11 ' A' ' 52' ' ' ILE . 76.4 mt -115.3 120.58 40.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.473 ' HB2' ' CZ ' ' A' ' 14' ' ' PHE . . . -103.36 135.17 45.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.063 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 27.5 t . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.789 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.155 0 CA-C-O 120.808 0.253 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -85.9 156.83 20.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.077 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 29.7 mtp180 -119.65 133.22 55.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -145.99 115.02 6.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 86.5 m -85.43 140.57 30.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.424 HG11 HG21 ' A' ' 34' ' ' ILE . 89.1 t -124.87 108.21 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.124 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 6.4 m -83.63 112.37 19.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.088 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 16.1 mt -108.84 111.01 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.099 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 52.9 m-20 -84.35 136.58 33.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 78.5 t -102.81 124.15 56.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 81.1 p -111.58 175.73 5.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.167 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.6 -177.02 6.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.872 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.781 HG21 ' HB2' ' A' ' 26' ' ' ASN . 0.8 OUTLIER . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.15 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.849 0.27 . . . . 0.0 112.333 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -115.54 149.25 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.849 ' CE1' HD13 ' A' ' 36' ' ' LEU . 33.4 m-85 -97.56 137.01 37.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.6 ptmm? -58.6 -41.58 86.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -143.28 135.87 27.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -84.45 -98.82 0.64 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.507 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -76.29 115.88 16.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.856 0.36 . . . . 0.0 110.904 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 49.0 t -138.31 124.85 26.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.147 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -88.74 142.79 27.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.468 HG22 ' HA ' ' A' ' 108' ' ' ILE . 18.8 m -132.99 158.49 43.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.083 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.532 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 6.7 p-80 -121.44 117.35 26.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.879 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.469 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 10.6 tt -139.99 135.85 16.75 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.582 0.706 . . . . 0.0 111.132 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.473 ' HB2' ' CG1' ' A' ' 113' ' ' VAL . 54.0 Cg_endo -69.72 143.02 49.69 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.646 2.231 . . . . 0.0 112.345 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -60.01 -30.63 69.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -91.0 16.29 9.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.46 143.06 28.77 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.563 0.697 . . . . 0.0 111.12 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 133.25 25.15 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.674 2.249 . . . . 0.0 112.363 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.2 t -60.72 117.21 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.135 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 117.73 16.0 6.08 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.495 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.6 m -89.84 132.75 35.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.813 0.339 . . . . 0.0 111.165 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.832 ' HA ' HG22 ' A' ' 75' ' ' THR . 79.9 p -75.23 114.52 13.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 51.2 t -85.09 -62.64 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.159 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.5 HG21 HG11 ' A' ' 106' ' ' VAL . 17.2 tt -142.68 154.28 17.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -130.7 128.9 41.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.849 HD13 ' CE1' ' A' ' 14' ' ' PHE . 73.1 mt -107.42 139.31 42.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.511 ' CD2' HG23 ' A' ' 39' ' ' THR . 3.0 t-160 -127.34 118.78 24.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -122.95 95.82 4.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.511 HG23 ' CD2' ' A' ' 37' ' ' HIS . 70.7 p . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 58.9 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.851 0.358 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.6 mmm-85 -97.86 139.04 34.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -111.2 105.11 13.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 19.9 pt -104.36 177.28 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.181 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -82.14 147.54 28.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -68.35 -167.64 4.43 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.469 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -99.86 152.51 20.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.778 0.323 . . . . 0.0 111.135 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 61.82 30.13 18.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.924 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.441 HG12 ' HE3' ' A' ' 62' ' ' LYS . 98.2 t -94.78 123.58 46.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.14 152.36 72.0 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.595 0.712 . . . . 0.0 111.085 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -50.75 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.682 2.255 . . . . 0.0 112.366 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -45.37 -34.64 3.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 97.0 m -71.66 -38.79 70.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.441 ' HE3' HG12 ' A' ' 57' ' ' VAL . 34.4 mttt -72.56 -31.21 65.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 -76.13 -64.82 1.01 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.481 HD22 ' O ' ' A' ' 79' ' ' SER . 77.6 mt -41.57 -46.23 3.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -95.54 175.23 6.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.426 ' HB2' ' HG3' ' A' ' 77' ' ' GLN . . . -139.78 112.61 8.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.071 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 50.7 tp -100.73 137.48 39.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -102.96 133.54 47.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -97.13 8.7 43.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 73.6 p -119.02 -26.72 5.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 21.0 p -122.46 -11.96 8.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.145 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 56.73 42.71 91.54 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.447 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.459 HD11 ' HB2' ' A' ' 32' ' ' SER . 11.9 tp -120.0 118.46 30.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.791 0.329 . . . . 0.0 110.934 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 73.0 mt -87.0 122.36 38.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.832 HG22 ' HA ' ' A' ' 32' ' ' SER . 39.7 p -133.28 156.28 47.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.136 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 96.4 t -59.2 134.37 24.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.426 ' HG3' ' HB2' ' A' ' 66' ' ' ALA . 4.7 tt0 -111.32 -26.98 8.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -159.88 160.72 33.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.481 ' O ' HD22 ' A' ' 64' ' ' LEU . 5.9 t -46.13 135.79 7.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.859 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.4 mt -92.66 155.42 17.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -126.96 114.44 17.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.481 ' CZ ' ' HB3' ' A' ' 82' ' ' ARG . 8.7 ttp-105 -78.98 -43.21 24.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -39.77 -44.19 1.54 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.9 tp10 -77.31 -56.57 4.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.656 HG21 ' CE1' ' A' ' 88' ' ' HIS . 11.8 t -139.39 124.05 18.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -91.12 -19.8 22.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.075 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 96.0 mt -124.61 116.65 48.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.656 ' CE1' HG21 ' A' ' 85' ' ' THR . 38.6 m-70 -100.93 112.86 25.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.859 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 41.3 mttp -102.89 105.0 15.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 59.2 t -113.33 132.48 62.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.159 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 61.4 m -114.57 127.5 55.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.13 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 13.2 t -104.57 144.96 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.104 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 66.4 mt -111.2 143.39 42.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -120.19 109.59 15.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.153 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.3 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.758 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 N--CA 1.466 -0.147 0 CA-C-O 120.797 0.249 . . . . 0.0 112.372 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -84.4 167.11 16.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.088 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 42.0 mtt180 -126.37 127.32 45.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -136.67 118.07 14.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 63.8 m -91.34 136.61 32.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.5 HG11 HG21 ' A' ' 34' ' ' ILE . 90.3 t -130.16 101.18 5.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 21.0 m -78.17 127.34 32.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.104 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.468 ' HA ' HG22 ' A' ' 21' ' ' VAL . 25.2 mt -112.95 118.6 58.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.135 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -96.46 116.16 28.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 75.0 t -84.31 120.27 34.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 62.6 p -104.89 162.87 12.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -77.72 170.31 16.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.473 ' CG1' ' HB2' ' A' ' 24' ' ' PRO . 5.1 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.191 0 CA-C-O 120.801 0.25 . . . . 0.0 112.36 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.0 p -133.33 137.48 53.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.801 ' CD1' HD22 ' A' ' 36' ' ' LEU . 11.7 m-85 -83.08 133.12 35.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -60.87 -42.31 97.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.851 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -139.25 130.76 27.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.846 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -95.43 -80.5 1.51 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.495 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -93.56 104.02 16.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.815 0.34 . . . . 0.0 110.889 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.519 HG12 ' N ' ' A' ' 20' ' ' GLU . 98.6 t -135.31 158.95 40.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.519 ' N ' HG12 ' A' ' 19' ' ' VAL . 1.4 mp0 -117.39 139.52 50.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.1 m -131.84 146.75 32.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.097 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.2 m80 -110.23 117.01 32.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.474 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 2.8 tt -143.45 136.54 13.87 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.659 0.743 . . . . 0.0 111.138 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.474 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.8 Cg_endo -69.74 148.58 65.54 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.697 2.264 . . . . 0.0 112.344 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -68.06 -19.73 64.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.917 ' HB3' HG11 ' A' ' 113' ' ' VAL . 14.1 t30 -92.7 -2.44 56.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 26' ' ' ASN . . . -35.17 143.83 0.23 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.559 0.695 . . . . 0.0 111.077 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 128.78 16.47 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.667 2.245 . . . . 0.0 112.34 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.4 t -56.88 131.93 20.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.74 9.86 36.66 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . 0.517 ' O ' HG22 ' A' ' 75' ' ' THR . 91.1 m -81.71 144.02 31.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.825 0.345 . . . . 0.0 111.132 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.613 ' HA ' HG22 ' A' ' 75' ' ' THR . 1.8 t -86.43 106.77 17.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.6 t -75.59 -68.09 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.108 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.456 HG13 ' N ' ' A' ' 35' ' ' GLN . 8.3 tp -133.54 149.75 31.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.456 ' N ' HG13 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -124.37 120.12 31.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.801 HD22 ' CD1' ' A' ' 14' ' ' PHE . 18.6 mt -102.62 116.51 32.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -113.37 105.92 13.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -109.66 147.72 32.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.101 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 19.4 p . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 -179.879 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.406 ' C ' ' HD3' ' A' ' 50' ' ' ARG . 70.6 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.854 0.359 . . . . 0.0 111.074 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.406 ' HD3' ' C ' ' A' ' 49' ' ' ILE . 0.4 OUTLIER -114.97 157.06 23.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -118.55 137.18 53.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.444 HD11 HD12 ' A' ' 93' ' ' LEU . 2.8 pp -143.78 150.82 16.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.146 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.565 ' CZ ' ' HG2' ' A' ' 62' ' ' LYS . 63.2 m-85 -63.8 140.56 58.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.817 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -70.45 -157.44 2.1 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.479 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -95.08 159.99 14.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.733 0.302 . . . . 0.0 111.111 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 21.7 mp0 54.9 47.94 21.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.6 t -109.97 118.6 57.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.99 144.35 48.7 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.554 0.692 . . . . 0.0 111.091 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -49.36 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.649 2.232 . . . . 0.0 112.34 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -45.27 -47.75 12.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 54.2 m -54.16 -40.13 67.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.565 ' HG2' ' CZ ' ' A' ' 53' ' ' PHE . 16.1 mtmm -69.54 -22.88 63.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -78.11 -60.22 2.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.615 ' HB3' HD23 ' A' ' 80' ' ' LEU . 1.8 mm? -51.57 -53.19 40.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.562 ' CE1' HD22 ' A' ' 80' ' ' LEU . 36.8 m-85 -98.16 156.37 16.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.436 ' HB2' ' HB2' ' A' ' 77' ' ' GLN . . . -123.67 109.16 13.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.502 ' HB3' ' CE1' ' A' ' 53' ' ' PHE . 7.9 tp -92.85 110.8 22.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.881 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -66.92 118.85 10.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -82.6 17.07 1.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 33.4 m -121.72 -28.49 4.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.091 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 61.3 p -126.44 -25.64 3.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.154 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 84.56 17.64 63.62 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.5 tp -89.45 120.51 30.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.74 0.305 . . . . 0.0 110.935 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 75.9 mt -90.04 127.54 42.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.123 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.613 HG22 ' HA ' ' A' ' 32' ' ' SER . 15.2 p -137.86 145.05 41.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.187 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 71.9 t -61.57 115.03 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.139 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.436 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 9.4 tt0 -87.38 -42.93 12.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -140.57 153.71 46.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.549 ' O ' HD12 ' A' ' 64' ' ' LEU . 53.1 p -41.89 134.58 2.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.615 HD23 ' HB3' ' A' ' 64' ' ' LEU . 9.6 mt -87.15 159.33 18.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.19 113.84 13.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 82' ' ' ARG . 11.8 ttp-105 -75.84 -40.41 54.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -39.59 -29.16 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 82' ' ' ARG . 54.5 mm-40 -85.31 -62.14 1.6 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.726 HG21 ' CE1' ' A' ' 88' ' ' HIS . 13.2 t -139.06 137.36 36.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -85.44 -29.0 24.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.517 HG21 ' HE3' ' A' ' 89' ' ' LYS . 54.9 mt -122.8 147.83 26.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.133 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.726 ' CE1' HG21 ' A' ' 85' ' ' THR . 59.2 m-70 -127.47 120.9 29.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.517 ' HE3' HG21 ' A' ' 87' ' ' ILE . 0.6 OUTLIER -102.81 116.87 33.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 15.2 t -121.92 129.22 75.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.128 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 58.9 m -108.09 130.56 55.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.113 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 46.1 t -111.55 133.87 55.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.626 HD23 ' O ' ' A' ' 102' ' ' ALA . 80.5 mt -118.49 120.41 37.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -99.04 131.7 44.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 92.9 p . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 -179.808 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 N--CA 1.466 -0.146 0 CA-C-O 120.806 0.253 . . . . 0.0 112.314 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.626 ' O ' HD23 ' A' ' 93' ' ' LEU . . . -82.22 154.32 25.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.089 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.431 ' NH1' ' HB2' ' A' ' 103' ' ' ARG . 25.7 mtm105 -123.68 134.19 53.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.823 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -151.0 120.12 6.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.104 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 91.9 m -101.2 121.9 42.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.101 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 92.7 t -100.95 119.96 49.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.193 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 73.7 m -88.85 117.89 28.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.148 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 17.3 mt -109.97 110.1 30.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -85.38 129.82 34.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 72.3 t -94.97 120.48 44.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 30.5 p -107.08 149.67 27.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.128 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -66.88 159.28 28.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.917 HG11 ' HB3' ' A' ' 26' ' ' ASN . 16.9 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.122 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.161 0 CA-C-O 120.85 0.271 . . . . 0.0 112.337 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 37.1 t -122.64 141.12 44.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.629 ' CZ ' ' HB2' ' A' ' 94' ' ' ALA . 39.8 m-85 -88.37 166.43 14.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -62.87 -41.22 99.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -151.48 127.23 10.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -41.84 -45.77 4.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.47 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.524 ' N ' ' CD ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -143.94 137.91 28.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.862 0.363 . . . . 0.0 110.875 -179.882 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.7 t -122.92 140.98 44.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.097 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -108.86 110.26 21.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.932 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.484 HG21 ' CG1' ' A' ' 33' ' ' VAL . 34.0 m -105.05 157.95 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -124.63 103.29 8.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.473 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 7.0 tt -124.31 136.02 27.18 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.591 0.71 . . . . 0.0 111.1 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.473 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.1 Cg_endo -69.82 154.6 67.31 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.717 2.278 . . . . 0.0 112.33 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -68.36 -34.45 76.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.572 ' HB3' HG11 ' A' ' 113' ' ' VAL . 60.0 t30 -89.76 24.86 2.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.47 142.85 93.79 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.605 0.717 . . . . 0.0 111.077 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 135.73 31.19 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.691 2.261 . . . . 0.0 112.326 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.0 t -59.63 137.17 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.144 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.56 -9.54 52.78 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.0 m -67.65 134.26 50.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.343 . . . . 0.0 111.085 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.422 ' HA ' HG22 ' A' ' 75' ' ' THR . 3.9 m -84.84 106.5 16.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.484 ' CG1' HG21 ' A' ' 21' ' ' VAL . 67.4 t -68.45 -69.53 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.11 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.635 HG21 HG11 ' A' ' 106' ' ' VAL . 7.3 tt -139.16 140.81 37.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.483 ' HB2' HD23 ' A' ' 73' ' ' LEU . 37.7 tt0 -127.08 110.4 12.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.955 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.582 HD23 ' CD1' ' A' ' 14' ' ' PHE . 5.0 mp -71.93 140.42 49.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -113.13 108.89 17.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -132.87 106.77 7.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 71.8 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 -179.875 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 12.4 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.811 0.339 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 18.4 mtt180 -101.43 143.84 30.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.458 ' N ' ' CD1' ' A' ' 51' ' ' TYR . 0.5 OUTLIER -109.51 144.55 37.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.851 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.493 HG22 ' ND2' ' A' ' 69' ' ' ASN . 29.5 pt -142.78 177.23 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.091 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -76.1 145.8 39.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -66.86 -159.84 0.92 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.454 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -103.23 151.65 22.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.754 0.312 . . . . 0.0 111.096 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 55.67 41.47 30.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 99.3 t -95.95 127.54 47.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.51 147.04 83.93 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.598 0.713 . . . . 0.0 111.094 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -40.89 4.8 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.698 2.266 . . . . 0.0 112.315 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.93 -45.91 64.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.077 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.445 HG21 HG22 ' A' ' 90' ' ' VAL . 49.3 m -59.58 -40.11 86.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.182 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -70.81 -17.1 62.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 56.6 mtt-85 -90.35 -26.48 19.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.996 HD23 ' HG2' ' A' ' 78' ' ' ARG . 33.6 mt -87.25 -37.25 17.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.454 ' CE1' HG21 ' A' ' 33' ' ' VAL . 66.2 m-85 -114.5 127.02 55.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.24 113.59 26.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.135 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.418 HD13 HG12 ' A' ' 74' ' ' ILE . 11.8 tp -103.8 142.0 35.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.95 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -98.11 149.07 22.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.914 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.493 ' ND2' HG22 ' A' ' 52' ' ' ILE . 1.3 m-20 -104.86 7.27 34.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.5 p -116.53 -26.72 6.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 16.9 p -117.32 -23.14 7.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.164 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 73.0 35.11 58.11 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.967 HD11 HG23 ' A' ' 75' ' ' THR . 0.3 OUTLIER -108.86 144.72 36.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.773 0.32 . . . . 0.0 110.924 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.936 ' H ' HD22 ' A' ' 73' ' ' LEU . 68.5 mt -115.3 110.13 30.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.151 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.967 HG23 HD11 ' A' ' 73' ' ' LEU . 3.0 p -104.56 -178.9 3.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 84.5 t -94.06 104.5 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.49 ' N ' ' O ' ' A' ' 64' ' ' LEU . 23.4 tt0 -65.01 -43.47 92.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.927 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.996 ' HG2' HD23 ' A' ' 64' ' ' LEU . 6.3 ptt180 -156.22 168.83 26.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.7 t -51.74 138.4 23.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.514 HD23 HD22 ' A' ' 64' ' ' LEU . 7.5 mt -101.06 130.82 47.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -99.11 124.67 44.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.9 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 39.6 ttp85 -82.27 -24.07 34.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -64.05 -11.69 31.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -117.53 -54.04 2.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.63 HG23 ' O ' ' A' ' 85' ' ' THR . 7.4 t -131.49 92.04 3.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.167 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.46 -28.82 69.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.171 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 44.9 mt -131.58 143.7 39.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.114 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.472 ' NE2' HG21 ' A' ' 85' ' ' THR . 24.1 m-70 -117.38 140.18 49.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -124.04 105.0 9.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.445 HG22 HG21 ' A' ' 61' ' ' THR . 44.9 t -118.17 119.25 60.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 26.1 m -94.69 118.45 31.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 94.6 t -99.48 136.16 31.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 34.1 mt -115.14 130.98 57.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.629 ' HB2' ' CZ ' ' A' ' 14' ' ' PHE . . . -113.32 108.65 17.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.121 179.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.0 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.809 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.784 0.243 . . . . 0.0 112.344 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -87.97 172.73 9.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 36.8 mtm-85 -123.5 117.84 26.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -119.85 122.05 40.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.054 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 86.3 m -100.24 115.61 30.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.161 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.635 HG11 HG21 ' A' ' 34' ' ' ILE . 71.4 t -102.31 117.2 47.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 61.3 m -98.5 106.41 18.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.172 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 48.1 mt -102.2 107.43 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.106 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -89.57 134.16 34.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 70.5 t -97.06 104.63 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.064 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 21.0 p -94.3 159.91 14.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.082 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -65.24 168.42 6.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.572 HG11 ' HB3' ' A' ' 26' ' ' ASN . 11.5 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.15 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 N--CA 1.465 -0.151 0 CA-C-O 120.824 0.26 . . . . 0.0 112.355 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.4 m -72.97 139.72 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.715 ' CD1' HD12 ' A' ' 36' ' ' LEU . 29.9 m-85 -95.51 150.29 20.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.9 tppt? -40.56 -56.88 1.98 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -143.06 169.58 17.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.4 ' C ' ' OE1' ' A' ' 18' ' ' GLN . . . -76.78 -73.11 1.05 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.4 ' OE1' ' C ' ' A' ' 17' ' ' GLY . 4.1 mp0 -120.03 126.34 50.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.82 0.343 . . . . 0.0 110.876 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 41.6 t -128.02 113.71 31.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -86.49 133.04 33.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 18.8 m -127.39 154.74 38.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.129 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.536 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 20.5 p-80 -119.65 115.55 24.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.467 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 1.8 tt -133.5 137.28 28.61 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.588 0.709 . . . . 0.0 111.141 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.467 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.6 Cg_endo -69.81 150.88 68.49 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.681 2.254 . . . . 0.0 112.349 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -64.26 -39.53 94.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.534 ' HB3' HG11 ' A' ' 113' ' ' VAL . 43.6 t30 -85.51 20.92 1.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.56 142.69 15.24 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.601 0.715 . . . . 0.0 111.138 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.73 135.8 31.45 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.675 2.25 . . . . 0.0 112.336 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.436 HG13 ' O ' ' A' ' 76' ' ' VAL . 72.1 t -60.42 122.54 11.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.158 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.32 16.02 9.97 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.458 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.4 m -90.8 112.6 24.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.82 0.343 . . . . 0.0 111.114 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.626 ' HA ' HG22 ' A' ' 75' ' ' THR . 73.2 m -65.55 107.95 1.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 54.8 t -77.91 -60.02 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 tp -141.27 143.7 27.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -124.41 100.58 6.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.715 HD12 ' CD1' ' A' ' 14' ' ' PHE . 3.5 mm? -71.06 112.95 7.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.867 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -111.2 106.02 14.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -114.32 98.51 6.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.8 p . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 -179.886 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.501 HG21 ' HB1' ' A' ' 94' ' ' ALA . 55.7 mt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.877 0.37 . . . . 0.0 111.101 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -98.94 141.15 32.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -116.59 130.01 56.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.954 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 12.5 pt -130.61 168.54 23.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.135 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.497 ' CZ ' ' HB3' ' A' ' 67' ' ' LEU . 50.0 m-85 -78.73 140.4 38.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -64.35 -170.72 2.17 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.46 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.72 157.13 16.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.767 0.318 . . . . 0.0 111.121 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 63.8 33.7 12.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.2 t -103.67 115.5 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.123 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.489 ' HB1' ' HD2' ' A' ' 59' ' ' PRO . . . -51.9 157.35 2.1 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.599 0.714 . . . . 0.0 111.141 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.489 ' HD2' ' HB1' ' A' ' 58' ' ' ALA . 53.8 Cg_endo -69.75 -44.38 2.12 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.696 2.264 . . . . 0.0 112.345 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 63' ' ' ARG . . . -48.03 -66.23 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.089 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 94.8 m -41.07 -25.29 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.161 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 60' ' ' ALA . 5.5 mtmp? -92.82 -33.63 14.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' A' ' 60' ' ' ALA . 17.6 ptt85 -69.95 -30.71 68.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.517 HD13 HD23 ' A' ' 80' ' ' LEU . 89.7 mt -83.7 -50.88 7.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.946 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -99.99 134.08 43.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -107.89 128.98 55.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.06 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.497 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 7.9 tp -112.53 136.81 51.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 24.3 m-20 -96.05 129.48 43.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -85.83 3.19 42.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 32.3 p -113.77 -28.43 7.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 41.8 p -117.64 -20.44 8.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.104 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 63.68 52.06 48.89 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.462 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 21.1 tp -126.45 141.73 51.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.75 0.31 . . . . 0.0 110.91 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 95.6 mt -113.7 121.26 65.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.626 HG22 ' HA ' ' A' ' 32' ' ' SER . 34.4 p -126.24 169.23 13.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.188 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.436 ' O ' HG13 ' A' ' 29' ' ' VAL . 88.8 t -80.46 107.74 13.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -78.76 -40.15 34.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 65.8 mtp180 -146.39 171.03 15.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.462 ' O ' HD22 ' A' ' 64' ' ' LEU . 3.4 t -57.58 156.32 8.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.517 HD23 HD13 ' A' ' 64' ' ' LEU . 6.7 mt -116.0 155.62 27.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.939 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -134.11 134.07 41.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 16.3 mtp180 -83.81 -34.56 24.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -47.4 -24.35 0.78 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -101.2 -58.84 1.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.661 HG21 ' CE1' ' A' ' 88' ' ' HIS . 11.5 t -136.12 126.28 26.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.123 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -91.57 -34.68 14.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 31.9 mt -117.07 136.32 54.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.095 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.661 ' CE1' HG21 ' A' ' 85' ' ' THR . 60.9 m-70 -112.62 123.52 50.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -112.16 107.71 16.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 22.3 t -117.02 131.31 70.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 19.6 m -114.16 121.19 43.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 85.6 t -99.81 133.34 43.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 10.8 mt -114.17 138.38 50.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.501 ' HB1' HG21 ' A' ' 49' ' ' ILE . . . -129.99 125.3 35.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.085 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.6 t . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 -179.801 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.465 -0.161 0 CA-C-O 120.799 0.249 . . . . 0.0 112.359 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -94.05 138.98 31.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -114.66 137.3 52.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -132.67 115.66 15.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 17.0 m -90.04 125.39 35.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.153 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 98.5 t -119.91 101.02 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.173 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 87.9 m -72.25 130.69 41.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 30.5 mt -125.67 106.72 16.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.102 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -88.6 124.92 34.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 47.6 t -91.25 122.6 42.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.126 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 28.3 p -109.73 163.37 13.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -70.45 -177.25 1.42 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.534 HG11 ' HB3' ' A' ' 26' ' ' ASN . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.172 0 CA-C-O 120.827 0.261 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 45.8 t -134.15 116.61 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -65.56 157.8 28.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.889 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.404 ' C ' ' HG2' ' A' ' 16' ' ' GLU . 12.8 tptm -43.88 -55.53 4.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.404 ' HG2' ' C ' ' A' ' 15' ' ' LYS . 48.8 mm-40 -149.13 143.12 25.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -49.42 -94.8 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.514 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -87.37 126.61 34.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 43.4 t -136.4 125.01 36.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.122 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -96.41 138.09 34.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.1 m -124.32 165.47 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.098 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 11.4 m80 -122.66 131.29 53.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.865 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.531 HD12 HG22 ' A' ' 33' ' ' VAL . 11.4 tt -151.84 136.0 9.94 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.658 0.742 . . . . 0.0 111.147 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.674 ' HB2' HG23 ' A' ' 113' ' ' VAL . 54.0 Cg_endo -69.74 154.17 68.14 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.658 2.239 . . . . 0.0 112.345 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -69.61 -36.26 76.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.572 ' HB2' HG21 ' A' ' 113' ' ' VAL . 68.1 m-80 -97.39 46.05 1.03 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.403 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -74.98 143.77 78.29 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.587 0.708 . . . . 0.0 111.083 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 130.72 19.8 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.657 2.238 . . . . 0.0 112.31 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.0 t -53.36 111.2 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 122.81 12.59 4.9 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.4 m -85.62 136.14 33.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.824 0.345 . . . . 0.0 111.125 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.462 ' HA ' HG22 ' A' ' 75' ' ' THR . 64.8 p -75.9 107.07 7.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.531 HG22 HD12 ' A' ' 23' ' ' ILE . 61.6 t -74.97 -62.34 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.141 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.544 HD13 ' N ' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -145.1 146.21 20.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.544 ' N ' HD13 ' A' ' 34' ' ' ILE . 5.9 tp60 -129.01 118.79 23.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.429 ' HG ' HD11 ' A' ' 34' ' ' ILE . 16.9 mt -97.24 117.76 32.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -92.58 105.31 17.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -125.23 89.41 3.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.131 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 36.5 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 -179.892 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.575 HG21 ' HB1' ' A' ' 94' ' ' ALA . 29.0 mt . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.74 0.305 . . . . 0.0 111.164 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -83.8 115.51 22.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -89.39 111.21 22.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 28.2 pt -106.84 156.42 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.113 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -69.32 142.48 54.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -58.2 -164.4 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.487 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.54 158.1 16.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.754 0.311 . . . . 0.0 111.101 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 52.14 53.17 12.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.945 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.8 t -114.54 129.17 71.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.51 150.74 33.01 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.541 0.686 . . . . 0.0 111.114 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -43.49 2.6 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.702 2.268 . . . . 0.0 112.344 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -48.34 -44.24 34.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.063 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.443 HG21 HG22 ' A' ' 90' ' ' VAL . 49.3 m -58.23 -40.07 80.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.167 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.39 -40.08 81.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.1 mtp85 -69.36 -63.87 0.98 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.85 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.5 mt -51.94 -49.08 63.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.544 ' CZ ' HD22 ' A' ' 80' ' ' LEU . 84.6 m-85 -104.07 123.29 46.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -98.8 127.9 44.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.114 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 24.7 tp -110.36 123.79 50.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -87.93 144.29 26.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -101.54 -6.87 23.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 74.0 p -105.12 -25.16 12.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.194 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 73.8 p -116.23 -22.39 8.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 63.1 37.26 94.63 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.499 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.458 HD12 ' O ' ' A' ' 34' ' ' ILE . 30.3 tp -119.9 130.31 54.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.792 0.329 . . . . 0.0 110.919 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 87.4 mt -96.41 123.52 48.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.462 HG22 ' HA ' ' A' ' 32' ' ' SER . 65.5 p -126.23 165.72 18.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.143 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 51.6 t -81.58 110.46 16.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -81.81 -34.13 30.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 64.4 mtp180 -143.72 160.85 39.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.9 t -51.29 141.98 13.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.544 HD22 ' CZ ' ' A' ' 65' ' ' PHE . 10.8 mt -94.65 152.88 18.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.939 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -129.22 124.56 34.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 -81.81 -39.97 23.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -41.92 -44.26 3.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -76.44 -62.59 1.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.599 HG21 ' CE1' ' A' ' 88' ' ' HIS . 5.3 t -139.97 138.1 35.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.752 ' O ' HG23 ' A' ' 110' ' ' VAL . . . -95.71 -41.79 8.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.11 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 6.9 mm -105.62 141.02 21.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.599 ' CE1' HG21 ' A' ' 85' ' ' THR . 52.8 m-70 -125.11 115.31 20.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.501 ' HD2' HG23 ' A' ' 107' ' ' THR . 0.0 OUTLIER -100.15 109.93 22.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.897 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.443 HG22 HG21 ' A' ' 61' ' ' THR . 87.3 t -115.76 123.66 71.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 17.2 m -100.63 128.78 46.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 60.6 t -108.4 138.19 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.129 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 18.0 mt -119.61 116.41 25.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.575 ' HB1' HG21 ' A' ' 49' ' ' ILE . . . -103.17 126.21 50.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.8 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 -179.746 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 N--CA 1.465 -0.171 0 CA-C-O 120.724 0.218 . . . . 0.0 112.413 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.39 175.05 4.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.127 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 79.3 mtm-85 -137.66 135.58 36.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -147.52 119.43 8.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 78.2 m -91.75 117.55 29.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 73.5 t -101.04 114.35 39.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . 0.501 HG23 ' HD2' ' A' ' 89' ' ' LYS . 3.5 m -90.17 119.73 30.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 23.5 mt -107.91 110.04 30.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -95.15 117.62 30.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 86' ' ' ALA . 20.3 t -85.33 127.78 39.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 3.6 p -124.96 174.51 7.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.114 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -51.66 153.0 2.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.674 HG23 ' HB2' ' A' ' 24' ' ' PRO . 5.9 p . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.847 0.27 . . . . 0.0 112.287 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.4 p -129.15 133.14 66.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.543 ' CD1' HD22 ' A' ' 36' ' ' LEU . 8.7 m-85 -78.77 153.11 31.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.2 tttp -41.28 -50.72 3.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.964 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -146.9 160.46 42.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.01 -61.29 5.0 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.511 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -105.86 143.36 34.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.87 0.367 . . . . 0.0 110.87 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 84.1 t -132.97 135.39 57.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -122.97 133.78 54.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.2 m -134.72 150.09 30.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.554 ' CD2' ' O ' ' A' ' 22' ' ' HIS . 2.4 p-80 -114.71 124.68 52.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.0 tt -148.53 132.22 8.43 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.666 0.746 . . . . 0.0 111.084 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.471 ' HB2' ' CG1' ' A' ' 113' ' ' VAL . 54.0 Cg_endo -69.69 154.84 67.53 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -69.32 -38.31 78.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.715 ' HB2' HG21 ' A' ' 113' ' ' VAL . 16.5 m-20 -85.42 29.81 0.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.6 143.72 95.46 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.554 0.692 . . . . 0.0 111.121 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 142.87 49.12 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.683 2.256 . . . . 0.0 112.316 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.5 t -63.55 131.26 29.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.075 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.45 15.8 31.26 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.446 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.1 m -82.86 126.91 32.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.814 0.34 . . . . 0.0 111.15 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.724 ' HA ' HG22 ' A' ' 75' ' ' THR . 7.6 p -70.43 109.18 4.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.8 t -79.99 -72.6 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.137 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.619 ' O ' HD12 ' A' ' 73' ' ' LEU . 10.5 tp -142.62 146.78 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.148 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.591 ' HB2' HD13 ' A' ' 73' ' ' LEU . 24.1 tt0 -123.48 103.74 8.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.543 HD22 ' CD1' ' A' ' 14' ' ' PHE . 13.6 mt -72.17 145.28 48.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -139.21 116.01 10.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.826 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -118.98 126.97 52.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.0 p . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.187 -179.901 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.774 HG23 ' O ' ' A' ' 95' ' ' SER . 67.3 mt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.807 0.337 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.484 ' CD ' ' O ' ' A' ' 69' ' ' ASN . 0.0 OUTLIER -78.27 162.55 26.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -136.8 110.5 8.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 22.8 pt -112.7 169.75 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.095 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.54 ' CZ ' ' HG2' ' A' ' 62' ' ' LYS . 31.4 m-85 -74.26 135.1 42.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -64.25 -152.05 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.499 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -105.58 158.89 16.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.697 0.284 . . . . 0.0 111.137 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 56.59 47.87 17.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 96.2 t -107.89 121.72 61.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.078 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.82 152.07 50.49 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.562 0.696 . . . . 0.0 111.124 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -40.9 4.74 Favored 'Trans proline' 0 N--CA 1.466 -0.14 0 C-N-CA 122.72 2.28 . . . . 0.0 112.321 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.26 -57.47 12.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.081 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.538 HG21 HG22 ' A' ' 90' ' ' VAL . 85.5 m -48.11 -35.08 10.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.082 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.54 ' HG2' ' CZ ' ' A' ' 53' ' ' PHE . 35.3 mtmt -73.21 -27.21 61.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.908 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.427 ' O ' ' NE2' ' A' ' 77' ' ' GLN . 26.4 mtt180 -84.79 -54.42 4.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 16.7 mt -57.44 -46.32 83.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -107.7 126.42 52.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -96.83 136.26 37.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.3 tp -113.35 141.62 46.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -103.08 123.25 46.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.484 ' O ' ' CD ' ' A' ' 50' ' ' ARG . 0.7 OUTLIER -84.95 5.11 30.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 73.1 p -116.84 -26.24 7.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 46.4 p -120.92 -15.92 8.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.107 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 62.19 38.29 95.92 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.619 HD12 ' O ' ' A' ' 34' ' ' ILE . 33.6 tp -111.96 149.06 32.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.805 0.336 . . . . 0.0 110.908 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 66.9 mt -121.47 122.12 66.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . 0.724 HG22 ' HA ' ' A' ' 32' ' ' SER . 34.8 p -128.85 162.03 28.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 91.1 t -71.35 131.09 34.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.146 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.427 ' NE2' ' O ' ' A' ' 63' ' ' ARG . 5.9 tt0 -107.34 -35.76 6.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 79' ' ' SER . 47.4 mtp180 -147.63 152.24 37.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 78' ' ' ARG . 20.2 p -37.82 148.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.4 mt -105.84 152.88 22.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.935 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -121.14 118.27 29.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.9 tmm_? -79.75 -46.74 16.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.832 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -41.27 -49.39 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -65.5 -59.87 3.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.527 HG21 ' NE2' ' A' ' 88' ' ' HIS . 8.9 t -133.46 144.59 49.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.139 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -104.95 -24.2 12.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.048 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 69.6 mt -134.53 134.22 54.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.139 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.527 ' NE2' HG21 ' A' ' 85' ' ' THR . 23.0 m-70 -113.36 113.96 25.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? -102.83 107.79 18.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.538 HG22 HG21 ' A' ' 61' ' ' THR . 15.2 t -114.17 142.28 27.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.138 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 52.1 m -121.27 121.26 37.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 42.2 t -108.12 140.24 27.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.152 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 55.4 mt -105.29 140.06 38.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.424 ' HB2' ' CZ ' ' A' ' 14' ' ' PHE . . . -118.77 136.36 54.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.774 ' O ' HG23 ' A' ' 49' ' ' ILE . 32.2 t . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.823 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo . . . . . 0 N--CA 1.466 -0.138 0 CA-C-O 120.833 0.264 . . . . 0.0 112.347 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -96.33 128.93 43.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.111 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 3.6 ptp85 -107.69 150.2 27.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -146.27 119.75 9.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.094 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 28.3 m -83.46 117.29 22.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.097 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 90.9 t -106.08 142.98 17.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.128 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 61.2 m -117.87 130.0 55.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.194 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 28.6 mt -117.44 117.27 54.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.161 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -90.91 133.95 34.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 79.3 t -102.25 99.98 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.177 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 68.1 p -85.24 160.85 19.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -76.87 170.24 16.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.715 HG21 ' HB2' ' A' ' 26' ' ' ASN . 32.8 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.175 0 CA-C-O 120.774 0.239 . . . . 0.0 112.315 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.4 m -103.13 168.26 2.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.136 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.672 ' CE1' ' HB2' ' A' ' 104' ' ' ALA . 96.1 m-85 -97.99 151.2 20.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -61.16 -38.95 88.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.454 ' HG3' ' CG2' ' A' ' 19' ' ' VAL . 6.2 pt-20 -127.16 -27.67 2.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.86 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 78.6 -63.44 3.72 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.475 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -103.42 138.71 39.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.861 0.362 . . . . 0.0 110.886 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.454 ' CG2' ' HG3' ' A' ' 16' ' ' GLU . 17.9 t -151.64 135.32 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -109.95 115.04 29.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.0 m -112.22 163.44 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.13 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 24.9 p-80 -134.4 108.29 8.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.826 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.471 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 2.3 tt -126.23 137.13 29.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.593 0.711 . . . . 0.0 111.117 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.471 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.7 Cg_endo -69.8 170.48 16.53 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.672 2.248 . . . . 0.0 112.377 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -84.74 -28.6 26.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.432 ' HB3' HG11 ' A' ' 113' ' ' VAL . 64.8 t30 -79.66 -10.35 59.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -37.13 139.12 0.52 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.572 0.701 . . . . 0.0 111.078 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 141.66 45.67 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.684 2.256 . . . . 0.0 112.306 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.478 HG13 ' O ' ' A' ' 76' ' ' VAL . 25.1 t -64.53 121.11 12.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.185 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.97 11.03 14.66 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.478 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.6 m -82.21 142.38 32.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.774 0.321 . . . . 0.0 111.174 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 52.4 p -81.81 115.41 21.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.828 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 18.2 t -85.53 -62.11 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.171 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.47 HG21 HG11 ' A' ' 106' ' ' VAL . 19.0 tt -142.75 154.13 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.162 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -132.14 106.21 7.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 14.7 mt -93.55 134.44 35.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -113.58 134.96 54.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.63 ' O ' HD12 ' A' ' 49' ' ' ILE . . . -126.3 95.2 4.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.2 p . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.151 -179.895 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.63 HD12 ' O ' ' A' ' 38' ' ' ALA . 26.3 mt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.835 0.35 . . . . 0.0 111.119 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.476 ' N ' ' HD2' ' A' ' 50' ' ' ARG . 0.3 OUTLIER -90.25 118.82 30.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.88 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.495 ' CE1' ' C ' ' A' ' 71' ' ' THR . 23.4 m-85 -88.21 153.29 21.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.402 ' N ' HD13 ' A' ' 52' ' ' ILE . 0.1 OUTLIER -145.21 175.0 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -83.35 146.31 28.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -54.79 -168.34 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.475 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -94.59 136.61 34.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.748 0.309 . . . . 0.0 111.073 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 56.73 51.16 11.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.44 HG12 ' HD2' ' A' ' 62' ' ' LYS . 92.0 t -96.93 128.37 48.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.471 ' O ' ' CD ' ' A' ' 62' ' ' LYS . . . -51.35 145.52 13.93 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.526 0.679 . . . . 0.0 111.086 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.412 ' HA ' ' HD3' ' A' ' 62' ' ' LYS . 53.3 Cg_endo -69.79 -49.06 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.675 2.25 . . . . 0.0 112.355 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 63' ' ' ARG . . . -51.56 -66.83 0.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 70.5 m -39.31 -31.87 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.144 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.471 ' CD ' ' O ' ' A' ' 58' ' ' ALA . 12.9 mtpt -80.64 -38.32 29.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 60' ' ' ALA . 22.5 mmm180 -58.17 -43.7 87.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.839 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.409 ' HB3' HD23 ' A' ' 80' ' ' LEU . 21.3 mt -69.48 -51.14 38.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -103.33 120.92 41.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.16 145.53 24.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.106 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 28.3 tp -121.02 119.36 32.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.947 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -73.3 130.84 41.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -94.05 13.07 24.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.6 p -118.79 -28.99 5.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.151 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.495 ' C ' ' CE1' ' A' ' 51' ' ' TYR . 44.9 p -127.88 -29.33 2.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 90.38 14.36 58.77 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.511 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.6 tp -81.96 145.41 30.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.772 0.32 . . . . 0.0 110.891 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 65.7 mt -113.46 133.27 59.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 16.7 p -132.41 170.93 14.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.15 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.478 ' O ' HG13 ' A' ' 29' ' ' VAL . 97.9 t -86.17 101.79 10.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -72.06 -44.04 63.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 36.6 mtp85 -149.16 152.5 36.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.4 t -39.05 149.54 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.409 HD23 ' HB3' ' A' ' 64' ' ' LEU . 10.7 mt -98.96 156.23 17.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -114.68 115.09 26.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -88.31 -35.8 17.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -52.16 -46.05 65.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.62 -70.52 0.49 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.638 HG21 ' CE1' ' A' ' 88' ' ' HIS . 4.9 t -112.08 139.97 47.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.148 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.629 ' O ' HG23 ' A' ' 110' ' ' VAL . . . -102.37 -37.96 7.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 36.6 mt -116.36 139.19 44.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.09 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.638 ' CE1' HG21 ' A' ' 85' ' ' THR . 51.4 m-70 -119.55 111.04 17.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.816 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 27.2 mttp -103.66 111.35 23.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 65.7 t -123.62 132.98 70.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 16.7 m -99.75 142.63 30.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 69.9 t -117.34 151.31 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 77.7 mt -131.3 120.71 23.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -99.12 110.32 22.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.747 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.23 0.108 0 CA-C-O 120.859 0.274 . . . . 0.0 112.337 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -95.21 153.16 17.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.092 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -102.82 139.82 37.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.672 ' HB2' ' CE1' ' A' ' 14' ' ' PHE . . . -137.22 118.4 14.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.084 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 89.7 m -93.99 108.27 20.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.47 HG11 HG21 ' A' ' 34' ' ' ILE . 84.5 t -103.88 110.07 29.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.111 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 8.1 m -91.22 134.22 34.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 18.0 mt -129.07 102.46 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -85.39 151.93 23.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 86' ' ' ALA . 34.6 t -111.34 130.23 65.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.118 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 11.3 p -114.57 172.39 7.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -90.22 153.56 20.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.432 HG11 ' HB3' ' A' ' 26' ' ' ASN . 2.9 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.861 0.275 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.7 p -160.33 143.47 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.534 ' CE1' ' HB3' ' A' ' 36' ' ' LEU . 6.3 m-85 -91.13 165.79 13.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -63.19 -54.2 41.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.406 ' HB2' ' CG2' ' A' ' 19' ' ' VAL . 21.5 mt-10 -145.5 113.73 6.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -39.37 -53.5 2.78 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.485 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.7 mp0 -119.1 129.81 55.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.875 0.369 . . . . 0.0 110.895 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.406 ' CG2' ' HB2' ' A' ' 16' ' ' GLU . 47.2 t -136.82 125.54 35.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.44 ' OE2' ' ND2' ' A' ' 109' ' ' ASN . 30.9 tt0 -94.71 152.64 18.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.7 m -151.57 165.81 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.486 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 6.3 p-80 -126.53 122.13 34.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.477 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 6.7 tt -145.72 136.2 12.14 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.575 0.702 . . . . 0.0 111.173 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . 0.477 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.7 Cg_endo -69.75 161.45 45.87 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.743 2.295 . . . . 0.0 112.301 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -71.51 -36.39 71.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -90.54 21.0 4.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.5 142.33 22.05 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.627 0.727 . . . . 0.0 111.088 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 129.34 17.47 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.692 2.262 . . . . 0.0 112.329 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.0 t -56.84 137.14 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.172 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.44 -2.49 50.03 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.526 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 85.6 m -73.83 134.68 43.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.806 0.336 . . . . 0.0 111.122 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 81.1 p -76.68 111.91 12.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 41.5 t -84.96 -65.32 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.41 ' CG2' HD12 ' A' ' 74' ' ' ILE . 2.9 tp -138.91 137.35 42.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.099 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -118.32 111.16 18.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.534 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . 4.6 mt -97.95 127.4 43.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -121.57 109.29 14.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.464 ' HB2' ' CD1' ' A' ' 14' ' ' PHE . . . -131.46 110.1 10.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.063 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 38.0 p . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 -179.9 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 28.1 mm . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.858 0.361 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 37.1 mmm-85 -112.64 117.31 31.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.446 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 48.0 m-85 -86.0 135.53 33.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.499 ' C ' HD12 ' A' ' 52' ' ' ILE . 2.6 pp -137.33 162.9 32.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.483 ' CD2' ' HE2' ' A' ' 62' ' ' LYS . 28.6 m-85 -74.28 119.4 18.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLY . . . . . 0.475 ' HA2' HD12 ' A' ' 93' ' ' LEU . . . -55.78 -175.31 0.18 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.455 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -83.41 153.27 24.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.762 0.315 . . . . 0.0 111.081 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 61.85 53.89 3.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.6 t -121.71 119.64 59.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.107 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.83 150.27 91.51 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.571 0.701 . . . . 0.0 111.066 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -50.72 0.44 Allowed 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.676 2.251 . . . . 0.0 112.363 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -41.07 -51.26 3.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.7 HG21 HG22 ' A' ' 90' ' ' VAL . 89.1 m -54.08 -36.68 63.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.483 ' HE2' ' CD2' ' A' ' 53' ' ' PHE . 1.9 mtpm? -72.6 -43.27 63.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.7 tpt85 -53.83 -41.18 67.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.791 HD23 ' HB2' ' A' ' 78' ' ' ARG . 14.9 mt -83.14 -49.47 9.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -94.37 124.01 38.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -102.77 122.39 44.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.083 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 21.4 tp -96.55 138.92 33.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -102.1 134.22 45.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 51' ' ' TYR . 0.8 OUTLIER -95.79 5.4 51.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 66.5 p -118.35 -28.54 5.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 43.8 p -121.98 -19.11 6.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.159 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 59.53 36.73 90.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.491 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.1 tp -112.93 121.85 45.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.789 0.328 . . . . 0.0 110.95 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.41 HD12 ' CG2' ' A' ' 34' ' ' ILE . 97.4 mt -85.66 123.13 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 32.6 p -126.78 152.44 46.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 59.9 t -65.19 124.0 19.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.144 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -108.46 -26.04 10.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.791 ' HB2' HD23 ' A' ' 64' ' ' LEU . 10.7 mmm180 -143.96 161.28 39.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.6 m -64.66 120.33 12.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.2 mt -74.62 143.8 44.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -120.43 126.62 50.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.864 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 39.7 ttp85 -82.9 -43.8 16.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -41.08 -38.16 0.98 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -85.79 -64.92 1.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.591 HG21 ' CE1' ' A' ' 88' ' ' HIS . 4.8 t -126.83 122.43 34.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.169 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.99 -20.23 26.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 47.4 mt -134.62 137.27 51.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.112 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' HIS . . . . . 0.591 ' CE1' HG21 ' A' ' 85' ' ' THR . 32.9 m-70 -116.01 117.09 29.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -106.45 108.19 19.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.7 HG22 HG21 ' A' ' 61' ' ' THR . 93.0 t -119.01 144.56 26.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 32.6 m -122.68 113.62 19.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.098 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 98.3 t -98.13 140.4 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.101 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.475 HD12 ' HA2' ' A' ' 54' ' ' GLY . 76.2 mt -113.99 136.2 53.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -125.95 120.2 29.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.066 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 47.6 t . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.869 -179.81 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 N--CA 1.466 -0.143 0 CA-C-O 120.821 0.259 . . . . 0.0 112.33 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -98.21 119.23 36.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 103' ' ' ARG . 4.7 ptp180 -100.08 137.08 39.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -139.64 118.55 12.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.09 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 53.2 m -90.63 110.95 22.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.421 HG12 HG13 ' A' ' 108' ' ' ILE . 94.4 t -96.17 107.11 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.097 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.8 m -80.73 102.6 10.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.128 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.421 HG13 HG12 ' A' ' 106' ' ' VAL . 18.0 mt -99.57 112.99 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.114 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ASN . . . . . 0.44 ' ND2' ' OE2' ' A' ' 20' ' ' GLU . 66.4 m-20 -85.72 152.77 22.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 47.0 t -121.69 117.86 53.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.136 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 67.1 p -106.79 175.54 5.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -93.07 163.81 13.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.44 ' CG1' ' HB2' ' A' ' 24' ' ' PRO . 6.8 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.172 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.8 t -99.45 -61.97 1.3 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.861 0.362 . . . . 0.0 110.883 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.8 p -91.78 150.01 21.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.07 -88.63 2.05 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.503 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 78.3 p -142.72 163.68 32.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.914 0.387 . . . . 0.0 110.846 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.1 m -107.26 -52.01 2.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.26 132.87 4.39 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.475 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 20.4 p30 -159.32 174.06 15.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.841 0.353 . . . . 0.0 110.914 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.436 ' C ' ' OD1' ' A' ' 9' ' ' ASP . 0.6 OUTLIER -82.57 154.04 25.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.838 179.95 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -160.42 136.29 8.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.4 ' HD3' ' N ' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -133.17 149.98 74.14 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.623 0.725 . . . . 0.0 110.86 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 173.38 11.06 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.723 2.282 . . . . 0.0 112.331 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.2 p -138.35 134.53 43.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.148 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -76.56 152.61 35.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.898 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.0 tttp -57.34 -51.55 68.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -145.79 130.09 17.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -45.53 -63.69 2.65 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.478 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.03 142.74 51.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.814 0.34 . . . . 0.0 110.944 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.8 t -142.25 141.43 28.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.108 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -102.83 134.08 46.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.562 HG23 HG23 ' A' ' 108' ' ' ILE . 35.5 m -127.0 155.06 37.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.156 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.431 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 39.4 p-80 -125.98 105.8 9.17 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.833 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.458 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 0.8 OUTLIER -129.72 138.3 32.82 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.626 0.727 . . . . 0.0 111.127 179.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.458 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.6 Cg_endo -69.74 140.72 43.44 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.729 2.286 . . . . 0.0 112.34 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.426 ' C ' ' OE1' ' A' ' 25' ' ' GLU . 1.6 pp20? -57.74 -37.52 73.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.521 ' HB2' HG21 ' A' ' 113' ' ' VAL . 46.3 t30 -77.79 -3.11 39.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.447 ' C ' ' O ' ' A' ' 26' ' ' ASN . . . -34.41 143.29 0.21 Allowed Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.603 0.716 . . . . 0.0 111.098 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 143.09 49.41 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.689 2.259 . . . . 0.0 112.301 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 74.7 t -66.94 128.41 30.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 109.37 6.0 29.64 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.521 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 8.7 m -79.48 141.12 37.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.789 0.328 . . . . 0.0 111.162 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.806 ' HA ' HG22 ' A' ' 75' ' ' THR . 77.6 p -90.15 105.48 17.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.9 t -69.83 -68.23 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.156 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.575 HG21 HG11 ' A' ' 106' ' ' VAL . 11.8 tt -142.35 145.14 23.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.121 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.7 tp60 -122.73 124.36 43.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.934 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 55.0 mt -100.06 115.28 29.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 6.2 t-80 -104.02 104.99 15.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -134.62 90.27 2.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.108 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.5 p -101.71 140.05 36.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.121 -179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.413 ' O ' ' C ' ' A' ' 41' ' ' ALA . 1.0 OUTLIER -62.25 177.38 0.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.87 179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 42' ' ' ASP . . . -34.85 116.93 0.36 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 41' ' ' ALA . 13.3 m-20 -34.97 -56.18 0.57 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.613 HG23 ' O ' ' A' ' 43' ' ' ILE . 8.6 tt -69.05 110.22 2.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.121 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 84.09 112.62 0.61 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.474 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 73.1 m -129.8 51.88 2.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.861 0.363 . . . . 0.0 110.862 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 63.3 m-20 -91.9 60.04 3.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.913 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -150.57 170.74 18.42 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.068 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -128.38 106.92 9.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.435 ' C ' ' HD2' ' A' ' 50' ' ' ARG . 93.2 mt -86.63 116.78 29.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.135 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.455 ' HD2' ' N ' ' A' ' 50' ' ' ARG . 0.3 OUTLIER -106.26 135.0 48.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.861 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.524 ' CE2' ' C ' ' A' ' 71' ' ' THR . 49.0 m-85 -107.04 108.85 20.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 15.7 pt -104.67 174.44 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.104 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -82.36 136.16 35.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -60.14 -160.56 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.508 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.63 150.12 21.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.751 0.31 . . . . 0.0 111.097 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 60.17 46.94 9.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.936 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 79.7 t -107.77 118.37 55.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.108 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.09 148.72 60.04 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.634 0.73 . . . . 0.0 111.068 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -40.28 5.49 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.685 2.257 . . . . 0.0 112.375 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -50.91 -43.31 59.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.113 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.45 HG21 HG22 ' A' ' 90' ' ' VAL . 56.9 m -61.44 -35.7 78.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.167 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 86.8 mttt -65.18 -36.46 84.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 69.2 ttt180 -80.02 -48.93 12.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 67.4 mt -56.83 -41.05 77.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.939 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 87.4 m-85 -117.91 131.55 56.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.864 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -95.16 114.61 26.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.096 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.5 tp -103.29 115.16 30.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -71.35 119.29 15.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.441 ' N ' ' OD1' ' A' ' 69' ' ' ASN . 0.7 OUTLIER -84.58 18.33 2.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.929 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -124.52 -26.07 3.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.116 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.524 ' C ' ' CE2' ' A' ' 51' ' ' TYR . 18.3 p -125.58 -23.91 3.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.133 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.518 ' N ' ' CD2' ' A' ' 51' ' ' TYR . . . 79.52 25.01 59.63 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.496 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.426 HD12 ' N ' ' A' ' 74' ' ' ILE . 6.4 tp -93.13 135.54 34.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.809 0.337 . . . . 0.0 110.92 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.426 ' N ' HD12 ' A' ' 73' ' ' LEU . 85.2 mt -106.95 122.95 61.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.123 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.806 HG22 ' HA ' ' A' ' 32' ' ' SER . 65.1 p -136.54 150.16 48.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.141 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 78.4 t -56.14 123.34 6.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.161 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -101.24 -36.59 8.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 31.8 mtp85 -151.72 161.63 42.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.4 m -52.92 141.05 22.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.858 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.6 mt -103.56 168.67 9.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.94 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -132.6 123.42 26.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.836 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 6.9 tmm_? -77.86 -47.01 19.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -44.36 -46.47 9.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -69.89 -68.79 0.39 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.894 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.54 HG21 ' CE1' ' A' ' 88' ' ' HIS . 10.1 t -120.58 139.93 52.24 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.153 -179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -103.25 -42.05 5.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.105 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 75.3 mt -115.21 134.84 57.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.118 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.54 ' CE1' HG21 ' A' ' 85' ' ' THR . 28.8 m-70 -113.25 118.78 35.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.882 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 48.7 mttt -109.26 104.32 13.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.45 HG22 HG21 ' A' ' 61' ' ' THR . 91.2 t -117.73 135.62 57.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.19 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 14.1 m -112.2 138.88 48.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.181 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.445 HG13 ' HB3' ' A' ' 51' ' ' TYR . 96.4 t -114.41 140.17 36.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.171 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 62.0 mt -124.34 121.48 35.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -106.22 116.45 31.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.122 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 9.4 p -119.64 112.59 19.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.427 ' OD1' ' C ' ' A' ' 96' ' ' ASP . 1.4 t0 -97.03 -49.79 4.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.907 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 173.45 50.91 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.462 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 59.6 p -136.05 175.2 9.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.826 0.346 . . . . 0.0 110.875 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.6 m -41.54 -67.11 0.28 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 24.4 p -135.97 142.88 41.99 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.577 0.703 . . . . 0.0 111.157 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 175.38 8.18 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.709 2.273 . . . . 0.0 112.361 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -93.29 142.45 27.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.105 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 27.7 ptt85 -102.13 142.41 33.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.821 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -142.19 127.91 19.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.081 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 19.2 m -93.8 145.48 24.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.143 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.575 HG11 HG21 ' A' ' 34' ' ' ILE . 87.0 t -141.48 114.48 4.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.1 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 6.6 m -100.46 125.01 46.71 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.176 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.562 HG23 HG23 ' A' ' 21' ' ' VAL . 12.0 mt -115.35 110.47 32.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.168 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -87.76 126.14 34.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 88.3 t -86.93 121.65 37.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.127 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 59.4 p -102.65 144.91 30.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.16 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -54.65 170.27 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.521 HG21 ' HB2' ' A' ' 26' ' ' ASN . 0.6 OUTLIER -138.4 122.02 20.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.125 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 179.97 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.521 -0.231 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.8 m -101.32 -61.36 1.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.854 0.359 . . . . 0.0 110.828 -179.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.1 p 51.11 32.94 8.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.897 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.08 120.91 1.7 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.8 t -58.01 119.91 7.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.87 0.367 . . . . 0.0 110.872 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.2 m -71.25 86.5 0.8 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.852 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.18 152.36 29.25 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.51 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.3 p-10 -172.7 140.03 0.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.82 0.343 . . . . 0.0 110.86 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 36.2 m-20 -143.65 125.97 15.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 47.4 t-20 -158.76 127.95 5.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -90.9 147.55 36.17 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.616 0.722 . . . . 0.0 110.864 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 133.5 25.66 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.6 2.2 . . . . 0.0 112.351 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.9 m -109.2 135.31 48.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.126 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.751 ' CD2' ' HB2' ' A' ' 104' ' ' ALA . 12.5 m-85 -87.5 129.68 34.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.448 ' HD3' ' CG ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -42.89 -33.69 0.82 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.89 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.448 ' CG ' ' HD3' ' A' ' 15' ' ' LYS . 9.6 mm-40 -149.25 138.88 21.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -78.9 -60.64 2.54 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.461 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -117.97 118.92 33.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.855 0.36 . . . . 0.0 110.926 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 18.9 t -132.16 118.94 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.091 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -94.48 122.35 36.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.4 HG21 ' CG1' ' A' ' 33' ' ' VAL . 27.4 m -116.27 149.1 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.109 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.49 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 17.4 p-80 -114.0 117.89 32.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.465 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 2.3 tt -138.49 137.1 19.71 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.648 0.737 . . . . 0.0 111.078 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.465 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.8 Cg_endo -69.74 159.92 51.63 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.675 2.25 . . . . 0.0 112.348 179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -76.97 -22.61 52.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.85 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.637 ' HB3' HG11 ' A' ' 113' ' ' VAL . 56.0 t30 -96.79 16.92 17.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.874 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -54.96 143.97 50.1 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.555 0.693 . . . . 0.0 111.073 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 143.66 51.66 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.682 2.254 . . . . 0.0 112.341 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 64.0 t -67.19 130.77 32.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.79 14.37 29.58 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.49 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 32.1 m -83.86 143.22 30.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.756 0.313 . . . . 0.0 111.165 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 58.0 p -89.02 106.56 18.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 -179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.4 ' CG1' HG21 ' A' ' 21' ' ' VAL . 44.2 t -75.87 -68.66 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.15 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 8.0 tt -137.36 152.44 27.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.763 ' OE1' HD13 ' A' ' 73' ' ' LEU . 40.6 tp60 -116.73 127.91 54.83 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.915 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 83.5 mt -111.4 109.69 19.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.952 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -106.78 116.59 32.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -119.01 127.21 53.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.1 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.6 p -124.73 158.63 32.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.152 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -142.84 172.94 12.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.876 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -41.4 103.73 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.12 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -57.28 -73.31 0.07 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.882 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.58 HG23 ' O ' ' A' ' 43' ' ' ILE . 9.3 tp -51.45 114.1 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.152 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 145.38 -108.63 0.48 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.494 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 5.0 t -122.81 144.26 49.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.888 0.375 . . . . 0.0 110.823 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -75.69 119.7 20.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.402 ' HB1' ' HB2' ' A' ' 96' ' ' ASP . . . -114.12 125.81 54.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.088 179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -97.89 90.79 5.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.846 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.488 ' CG2' ' HB1' ' A' ' 94' ' ' ALA . 28.0 mt -61.14 121.16 8.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.101 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 12.7 mmt85 -98.03 137.42 36.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.585 ' CD2' ' CA ' ' A' ' 72' ' ' GLY . 10.2 m-85 -107.21 115.8 30.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.902 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 12.7 pt -124.66 158.92 31.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.178 179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.501 ' CD2' ' HG2' ' A' ' 62' ' ' LYS . 76.3 m-85 -66.96 136.33 55.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -61.79 -165.36 0.38 Allowed Glycine 0 N--CA 1.452 -0.246 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.459 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -91.62 151.14 20.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.732 0.301 . . . . 0.0 111.127 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 20.5 mp0 59.44 43.85 15.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 88.1 t -97.53 116.2 39.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -45.85 143.94 3.01 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.588 0.709 . . . . 0.0 111.084 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -45.09 1.71 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.702 2.268 . . . . 0.0 112.322 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.59 -33.79 56.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.103 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.431 HG21 HG22 ' A' ' 90' ' ' VAL . 93.2 m -70.4 -63.94 0.99 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.501 ' HG2' ' CD2' ' A' ' 53' ' ' PHE . 18.5 mtmt -37.63 -32.99 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.912 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.5 ttt85 -82.92 -66.03 0.94 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 34.6 mt -39.19 -39.84 0.66 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -113.58 142.75 45.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.926 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -110.92 118.28 35.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.083 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.7 tp -106.2 107.06 17.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -67.06 132.34 47.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -92.51 5.8 49.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.2 p -116.2 -26.05 7.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.161 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 21.3 p -117.38 -17.3 10.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.194 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.585 ' CA ' ' CD2' ' A' ' 51' ' ' TYR . . . 64.46 27.3 71.56 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.456 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.763 HD13 ' OE1' ' A' ' 35' ' ' GLN . 10.8 tp -104.99 133.27 50.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.725 0.298 . . . . 0.0 110.922 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 97.4 mt -98.11 128.79 49.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.134 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 61.5 p -135.31 170.97 15.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 42.4 t -90.68 122.66 42.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.102 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 3.1 tt0 -95.14 -44.05 7.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 36.1 mtt-85 -133.88 163.41 29.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.918 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.1 t -53.25 154.21 3.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.1 mt -113.63 160.14 18.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.915 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -123.72 139.41 54.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.818 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 5.1 tmm_? -96.66 -26.51 15.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -75.21 -10.69 59.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -102.69 -64.01 1.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.638 HG21 ' CE1' ' A' ' 88' ' ' HIS . 10.2 t -129.87 109.87 11.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.158 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.433 ' HB3' HD12 ' A' ' 87' ' ' ILE . . . -73.35 -42.3 62.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.066 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.433 HD12 ' HB3' ' A' ' 86' ' ' ALA . 5.3 mp -113.66 138.54 43.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.093 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.638 ' CE1' HG21 ' A' ' 85' ' ' THR . 24.8 m-70 -113.46 112.96 24.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.846 179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -101.77 111.97 24.4 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.431 HG22 HG21 ' A' ' 61' ' ' THR . 60.4 t -130.36 124.71 58.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.156 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 23.0 m -105.41 126.82 52.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.136 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.44 ' CG1' ' HB3' ' A' ' 51' ' ' TYR . 49.0 t -102.16 134.63 42.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.146 179.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 14.9 mt -108.78 137.03 47.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.941 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.488 ' HB1' ' CG2' ' A' ' 49' ' ' ILE . . . -112.69 101.03 9.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.067 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 42.7 t -110.94 114.43 27.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.402 ' HB2' ' HB1' ' A' ' 47' ' ' ALA . 1.9 p30 -119.6 1.51 11.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 112.67 41.45 1.02 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.469 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 t -121.07 179.9 4.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.939 0.4 . . . . 0.0 110.808 -179.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 67.3 m -50.88 -71.99 0.06 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.3 p -123.36 144.09 42.96 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.57 0.7 . . . . 0.0 111.162 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 166.73 26.6 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.708 2.272 . . . . 0.0 112.376 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -87.17 151.9 22.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.084 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 12.0 mmt85 -114.65 134.51 55.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.855 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.751 ' HB2' ' CD2' ' A' ' 14' ' ' PHE . . . -150.19 116.51 5.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.101 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 59.1 m -102.41 127.63 49.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.126 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.414 HG12 HG13 ' A' ' 108' ' ' ILE . 94.0 t -109.68 101.18 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 5.4 m -75.19 102.94 5.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.136 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.414 HG13 HG12 ' A' ' 106' ' ' VAL . 30.4 mt -101.21 111.97 32.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.153 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -90.93 136.99 32.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 46.0 t -102.5 116.65 46.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.082 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 1.5 p -100.85 170.42 8.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.154 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -81.77 163.1 22.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.637 HG11 ' HB3' ' A' ' 26' ' ' ASN . 25.5 m -119.69 -27.14 2.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.167 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 73.9 m-80 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.894 179.983 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.7 m 42.42 42.21 2.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.905 0.383 . . . . 0.0 110.848 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.2 p 43.38 42.14 3.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.833 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.64 48.25 0.6 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.434 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.6 t -96.74 155.78 16.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.916 0.388 . . . . 0.0 110.877 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 t -163.96 167.83 20.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.846 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.04 -75.76 0.16 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.487 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -132.74 168.63 17.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.848 0.356 . . . . 0.0 110.857 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -174.26 119.64 0.25 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.86 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 11.8 m-20 -46.35 97.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.89 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.2 150.02 0.2 Allowed Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.566 0.698 . . . . 0.0 110.89 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 117.77 5.28 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.661 2.241 . . . . 0.0 112.317 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 71.4 t -102.53 124.1 56.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.498 ' CD1' HD22 ' A' ' 36' ' ' LEU . 10.8 m-85 -93.39 111.9 23.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.915 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 16' ' ' GLU . 18.1 tptm -64.54 134.11 53.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.447 ' O ' HG23 ' A' ' 19' ' ' VAL . 14.0 pt-20 34.79 53.78 0.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -44.79 -47.29 9.26 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.494 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -79.52 119.84 23.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.349 . . . . 0.0 110.886 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.497 HG12 ' N ' ' A' ' 20' ' ' GLU . 73.3 t -149.73 157.85 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.13 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.497 ' N ' HG12 ' A' ' 19' ' ' VAL . 20.8 tt0 -124.65 109.71 13.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.875 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.5 m -100.91 163.38 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.146 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 69.9 m80 -125.78 106.62 9.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.831 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.475 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 7.5 tt -128.74 136.12 28.66 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.68 0.752 . . . . 0.0 111.106 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.475 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.8 Cg_endo -69.73 145.4 57.2 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.663 2.242 . . . . 0.0 112.365 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -61.38 -29.53 69.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.578 ' HB3' HG11 ' A' ' 113' ' ' VAL . 41.9 t30 -92.53 14.25 17.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -49.34 142.73 10.58 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.64 0.734 . . . . 0.0 111.055 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 136.49 32.96 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.669 2.246 . . . . 0.0 112.307 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.426 HG13 ' O ' ' A' ' 76' ' ' VAL . 24.7 t -61.42 140.67 18.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.85 0.09 59.04 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.524 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 32.1 m -78.7 141.52 37.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.842 0.353 . . . . 0.0 111.115 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.584 ' HA ' HG22 ' A' ' 75' ' ' THR . 58.2 p -76.71 109.13 10.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.817 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.7 t -78.7 -69.35 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.142 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.718 HG12 HG21 ' A' ' 106' ' ' VAL . 3.7 tp -136.05 146.3 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.14 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.484 ' OE1' HD13 ' A' ' 73' ' ' LEU . 38.6 tp60 -128.05 126.91 42.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.498 HD22 ' CD1' ' A' ' 14' ' ' PHE . 18.6 mt -100.45 146.62 26.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.91 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 14.8 t-160 -113.52 111.17 21.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.865 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -123.02 110.38 15.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.114 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 42.7 p -136.7 127.18 26.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.112 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -107.57 -40.84 5.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.843 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -138.29 147.07 43.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.117 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -99.23 -50.37 4.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.839 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.56 HG23 ' O ' ' A' ' 43' ' ' ILE . 5.8 tp -71.6 114.03 9.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.113 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.39 -59.79 0.55 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.549 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 41.9 m 64.24 45.61 3.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.9 0.381 . . . . 0.0 110.861 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -98.43 38.18 1.38 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -130.15 101.35 5.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.117 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -91.44 92.52 8.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.933 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 86.4 mt -80.43 121.27 33.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.13 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -102.81 117.24 34.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.454 ' HB3' ' CG1' ' A' ' 92' ' ' VAL . 0.9 OUTLIER -80.09 159.24 26.19 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 -179.847 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 12.3 pt -153.04 173.89 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.124 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -75.86 126.76 31.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.809 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.811 ' HA2' HD12 ' A' ' 93' ' ' LEU . . . -66.54 -158.51 0.66 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.496 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -95.79 156.83 16.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.76 0.314 . . . . 0.0 111.125 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 61.85 38.32 14.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.1 t -102.04 127.83 55.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.171 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.92 152.28 95.02 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.637 0.732 . . . . 0.0 111.084 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -46.8 1.07 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.668 2.245 . . . . 0.0 112.355 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -54.57 -36.58 64.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.061 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.563 ' CG2' HG22 ' A' ' 90' ' ' VAL . 93.2 m -68.83 -25.15 64.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.162 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -75.87 -37.74 58.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.92 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 33.2 ttt180 -82.79 -55.3 4.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.877 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 46.1 mt -50.05 -36.14 27.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -116.38 137.42 52.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.644 ' HB2' ' HB2' ' A' ' 77' ' ' GLN . . . -100.81 116.98 33.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.124 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.2 tp -109.65 105.89 15.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.912 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 -65.97 118.67 10.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 28.9 m120 -83.3 5.77 22.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 88.4 m -106.78 -27.86 10.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.119 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.401 ' C ' ' CE1' ' A' ' 51' ' ' TYR . 43.4 p -126.73 -27.02 3.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.171 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 86.68 11.46 71.05 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.485 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.484 HD13 ' OE1' ' A' ' 35' ' ' GLN . 20.0 tp -87.01 116.61 25.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.764 0.316 . . . . 0.0 110.904 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.617 HD12 ' CG2' ' A' ' 34' ' ' ILE . 84.2 mt -88.9 122.36 40.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.158 179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.584 HG22 ' HA ' ' A' ' 32' ' ' SER . 41.3 p -127.91 152.7 47.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.135 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.426 ' O ' HG13 ' A' ' 29' ' ' VAL . 70.9 t -57.96 109.56 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.145 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.644 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 40.7 tt0 -83.71 -39.65 19.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 58.0 mtt-85 -148.33 169.55 19.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.842 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.0 m -58.09 133.3 55.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.826 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.2 mt -95.17 164.83 12.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.892 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.51 126.68 31.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.729 ' HD2' HG12 ' A' ' 110' ' ' VAL . 8.5 ttt-85 -86.35 -23.48 26.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.6 mm-40 -56.79 -44.88 82.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -75.63 -61.46 1.91 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.887 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.504 ' CG2' ' CE1' ' A' ' 88' ' ' HIS . 6.0 t -138.67 132.12 30.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.136 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.629 ' O ' HG23 ' A' ' 110' ' ' VAL . . . -94.64 -34.04 12.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.092 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 81.3 mt -103.68 121.07 54.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.152 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.504 ' CE1' ' CG2' ' A' ' 85' ' ' THR . 42.7 m-70 -108.8 118.2 36.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -108.94 111.93 23.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.563 HG22 ' CG2' ' A' ' 61' ' ' THR . 97.1 t -119.46 120.8 64.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.139 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 57.1 m -101.14 133.51 45.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.162 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.454 ' CG1' ' HB3' ' A' ' 51' ' ' TYR . 93.6 t -116.27 130.95 70.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.128 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.811 HD12 ' HA2' ' A' ' 54' ' ' GLY . 11.5 mt -110.9 123.99 51.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -102.01 128.8 48.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.2 t -133.03 122.34 24.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.814 -179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -103.63 -46.43 4.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.829 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 149.39 133.53 2.21 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.502 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.3 m 47.56 50.85 14.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.872 0.368 . . . . 0.0 110.864 -179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 100' ' ' THR . 1.1 t -173.67 116.78 0.25 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.821 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.635 HG23 ' HD2' ' A' ' 101' ' ' PRO . 95.1 m -36.71 138.68 0.49 Allowed Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.571 0.7 . . . . 0.0 111.102 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.635 ' HD2' HG23 ' A' ' 100' ' ' THR . 54.0 Cg_endo -69.73 153.0 69.59 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.659 2.24 . . . . 0.0 112.369 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -100.7 118.26 36.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.1 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 17.7 ptt180 -91.0 133.17 35.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.413 ' HB2' ' CD2' ' A' ' 14' ' ' PHE . . . -136.0 124.5 23.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 35.5 m -99.28 142.48 30.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.184 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.718 HG21 HG12 ' A' ' 34' ' ' ILE . 84.1 t -134.28 115.42 20.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.131 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.9 m -86.73 128.54 35.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.168 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 53.0 mt -117.48 106.38 19.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.158 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.485 ' ND2' ' HG2' ' A' ' 20' ' ' GLU . 2.9 m-80 -85.41 126.27 33.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.911 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.729 HG12 ' HD2' ' A' ' 82' ' ' ARG . 86.0 t -95.4 127.79 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.169 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 11.5 p -111.88 162.12 15.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.114 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -74.51 160.48 30.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.578 HG11 ' HB3' ' A' ' 26' ' ' ASN . 0.1 OUTLIER -121.41 -18.11 5.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.083 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 29.4 p30 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.869 -179.981 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.2 p -143.5 141.61 30.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.901 0.382 . . . . 0.0 110.824 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.1 t -74.32 -57.47 3.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.818 -179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.14 171.42 2.28 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.488 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.6 m -119.58 40.91 3.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.87 0.367 . . . . 0.0 110.871 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.4 p -131.84 154.17 49.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -141.27 169.88 24.87 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.461 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -119.07 -29.26 5.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.821 0.343 . . . . 0.0 110.884 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -166.57 166.68 16.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -124.86 -29.68 3.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.8 ptp85 -82.84 145.21 49.62 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.607 0.718 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 153.41 69.06 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.665 2.244 . . . . 0.0 112.372 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.9 p -132.65 144.2 37.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.099 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.46 ' CD2' ' HB2' ' A' ' 104' ' ' ALA . 30.0 m-85 -88.39 136.85 32.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 18.9 ttmt -43.45 -38.18 2.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.2 pm0 -142.25 -177.82 5.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -112.71 -68.34 0.52 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.53 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 9.0 tm0? -115.23 145.93 41.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.82 0.343 . . . . 0.0 110.933 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 91.7 t -150.32 116.09 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -85.14 118.96 25.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 18.8 m -112.96 159.34 12.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.095 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.512 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 28.2 p-80 -123.2 114.42 20.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.882 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 3.5 tt -133.6 132.79 21.94 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.616 0.722 . . . . 0.0 111.139 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 141.37 45.39 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.722 2.281 . . . . 0.0 112.377 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -55.64 -35.01 65.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.859 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.516 ' HB3' HG11 ' A' ' 113' ' ' VAL . 59.2 t30 -92.55 25.8 2.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -56.64 144.11 66.07 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.632 0.73 . . . . 0.0 111.09 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 130.94 20.21 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.655 2.236 . . . . 0.0 112.336 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 97.3 t -54.75 114.76 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.166 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 117.67 13.98 7.06 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.483 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 14.8 m -83.56 132.62 34.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.809 0.338 . . . . 0.0 111.089 -179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.523 ' HA ' HG22 ' A' ' 75' ' ' THR . 47.0 m -74.51 115.09 13.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.1 t -84.47 -68.18 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.119 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.2 tp -140.6 143.23 29.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.109 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.0 tm0? -116.15 123.92 49.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 46.2 mt -106.7 131.34 53.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -126.92 105.33 8.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.876 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -128.84 91.23 3.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.106 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.9 p -103.95 159.79 15.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.169 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 19.1 p-10 -104.84 176.74 5.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 42' ' ' ASP . . . -44.22 97.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.078 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.413 ' C ' ' O ' ' A' ' 41' ' ' ALA . 8.7 p-10 -36.51 -42.69 0.36 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.852 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.431 HD12 ' C ' ' A' ' 43' ' ' ILE . 0.5 OUTLIER -56.11 92.35 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.56 84.09 0.4 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.9 t -95.41 78.63 3.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.899 0.381 . . . . 0.0 110.824 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -97.01 36.2 1.46 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -119.29 178.32 4.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.075 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -133.52 81.52 1.93 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.863 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 9.7 mm -64.07 118.57 6.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.101 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 3.1 tpt180 -130.94 139.65 50.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.448 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 21.9 m-85 -113.44 118.44 34.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.532 HD11 HD12 ' A' ' 93' ' ' LEU . 2.8 pp -118.75 166.52 13.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.175 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.468 ' O ' HD12 ' A' ' 52' ' ' ILE . 33.9 m-85 -70.36 139.27 51.91 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -51.5 -175.03 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.501 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -88.73 156.82 18.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.702 0.287 . . . . 0.0 111.149 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 31.8 mm-40 43.62 47.11 6.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 54.6 t -97.98 109.97 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.087 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.427 ' HB1' ' HD2' ' A' ' 59' ' ' PRO . . . -42.8 155.51 0.26 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.554 0.692 . . . . 0.0 111.103 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.427 ' HD2' ' HB1' ' A' ' 58' ' ' ALA . 53.9 Cg_endo -69.72 -47.22 0.99 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.676 2.251 . . . . 0.0 112.362 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -49.83 -53.58 24.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.151 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 5.9 m -52.98 -16.27 1.01 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 22.9 mtmt -103.55 -21.71 13.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.922 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.8 ptp180 -81.36 -32.71 32.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.918 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 50.3 mt -81.29 -32.6 33.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -119.23 142.29 48.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -114.75 117.23 30.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.086 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.464 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 11.0 tp -99.37 140.71 33.14 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -103.74 143.39 32.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 51' ' ' TYR . 0.4 OUTLIER -104.12 1.78 31.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.831 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.4 p -106.74 -27.66 10.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.143 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.4 p -119.12 -28.37 5.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.097 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 77.87 37.83 28.66 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.499 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 5.0 tp -115.82 138.57 51.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.858 0.361 . . . . 0.0 110.912 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 85.8 mt -105.62 113.87 43.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.142 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.523 HG22 ' HA ' ' A' ' 32' ' ' SER . 12.5 p -119.83 169.91 9.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.173 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 66.2 t -83.29 138.47 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.105 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -106.91 -38.89 5.93 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 45.9 mtp180 -146.68 153.26 40.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.845 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.4 m -40.32 150.94 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.3 mt -104.52 158.6 16.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -120.5 115.01 22.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -84.37 -35.62 23.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 -179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -55.36 -19.22 8.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -101.45 -62.73 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.549 HG21 ' CE1' ' A' ' 88' ' ' HIS . 5.2 t -128.3 147.29 50.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.191 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.541 ' O ' HG23 ' A' ' 110' ' ' VAL . . . -116.6 -32.78 5.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.125 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 22.5 mm -110.11 124.46 66.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.138 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.549 ' CE1' HG21 ' A' ' 85' ' ' THR . 56.3 m-70 -117.36 114.12 23.1 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.7 mttt -106.13 113.42 26.94 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 57.8 t -117.67 132.27 67.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.136 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 21.6 m -107.3 130.7 54.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.136 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 86.4 t -110.25 144.72 17.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.164 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.532 HD12 HD11 ' A' ' 52' ' ' ILE . 25.4 mt -125.01 126.07 44.85 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.951 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -109.74 119.21 38.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.106 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 42.0 p -114.22 150.75 33.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.858 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -111.76 -57.93 2.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.848 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 173.75 -53.84 0.15 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.464 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 75.4 m -122.82 50.63 1.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.892 0.377 . . . . 0.0 110.827 -179.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 73.1 m -165.12 146.21 7.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.852 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 37.0 p -61.55 143.87 93.07 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.572 0.701 . . . . 0.0 111.145 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 146.1 58.97 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.646 2.231 . . . . 0.0 112.323 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -85.75 151.42 23.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 45.4 mtm-85 -105.2 134.74 47.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.92 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.46 ' HB2' ' CD2' ' A' ' 14' ' ' PHE . . . -140.31 118.19 11.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 91.8 m -99.28 136.56 39.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 92.0 t -128.93 115.26 35.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.143 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 7.8 m -87.02 124.55 33.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.155 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 16.3 mt -116.54 123.56 71.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.175 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -104.57 132.5 50.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 86' ' ' ALA . 39.5 t -98.14 115.24 37.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.092 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 68.7 p -98.18 164.3 12.38 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -69.16 176.49 3.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.516 HG11 ' HB3' ' A' ' 26' ' ' ASN . 0.2 OUTLIER -142.88 124.51 12.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.116 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 16.4 t30 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.984 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.369 0 N-CA-C 112.548 -0.221 . . . . 0.0 112.548 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.9 m -154.61 145.1 22.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.879 0.371 . . . . 0.0 110.834 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 65.7 m -146.34 164.71 31.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.904 -179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.27 170.1 23.72 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.482 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.7 m -126.84 131.38 51.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.886 0.374 . . . . 0.0 110.849 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.8 m -50.5 154.72 1.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.84 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.82 93.95 0.34 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.539 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -93.25 140.63 29.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.789 0.328 . . . . 0.0 110.925 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -129.27 104.61 7.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -169.38 134.69 1.52 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.947 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 61.2 mtp180 -102.91 142.63 24.95 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.638 0.732 . . . . 0.0 110.825 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 97.88 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.702 2.268 . . . . 0.0 112.369 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.553 ' O ' HG23 ' A' ' 13' ' ' VAL . 32.3 m -82.5 118.32 30.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.091 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.455 ' CZ ' ' HB2' ' A' ' 94' ' ' ALA . 18.8 m-85 -63.22 111.53 2.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.5 tptm -38.12 -46.84 1.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.872 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -130.79 107.68 9.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.888 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -64.51 -93.83 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.446 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -87.1 122.57 31.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.889 0.376 . . . . 0.0 110.931 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 19.3 t -133.05 136.63 55.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.128 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -104.39 129.01 52.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.894 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 5.5 m -125.01 154.79 33.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 27.0 m80 -120.17 107.85 13.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.826 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.463 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 9.5 tt -124.1 135.75 26.74 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.608 0.718 . . . . 0.0 111.143 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.463 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.8 Cg_endo -69.78 145.15 56.17 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.7 2.267 . . . . 0.0 112.317 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -62.35 -31.99 72.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.576 ' HB2' HG21 ' A' ' 113' ' ' VAL . 26.5 m-20 -87.91 17.09 5.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.46 142.53 76.54 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.539 0.685 . . . . 0.0 111.142 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 128.17 15.67 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.677 2.252 . . . . 0.0 112.371 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 77' ' ' GLN . 12.0 p -56.24 130.44 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.141 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.66 15.18 23.4 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.459 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 87.8 m -88.92 131.14 35.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.791 0.329 . . . . 0.0 111.101 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.759 ' HA ' HG22 ' A' ' 75' ' ' THR . 85.1 p -69.32 116.01 9.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 85.2 t -87.29 -67.52 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.146 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.431 HG13 ' N ' ' A' ' 35' ' ' GLN . 7.6 tp -139.61 147.35 24.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.147 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.617 ' HB2' HD13 ' A' ' 73' ' ' LEU . 2.5 tp-100 -121.89 137.03 54.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.907 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.454 ' CD1' HG11 ' A' ' 92' ' ' VAL . 21.5 mt -102.52 133.58 47.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -125.84 105.96 9.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.593 ' O ' HD12 ' A' ' 49' ' ' ILE . . . -122.49 101.67 7.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.113 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.3 p -122.95 115.32 21.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.135 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -68.68 175.04 3.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.895 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -52.46 109.24 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.1 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -44.25 -48.56 9.43 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.567 HG23 ' O ' ' A' ' 43' ' ' ILE . 2.8 tp -68.56 112.96 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.159 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 148.15 -95.91 0.17 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 66.3 m -151.07 127.57 10.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.82 0.343 . . . . 0.0 110.892 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -53.8 133.21 42.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.408 ' CB ' ' OD1' ' A' ' 96' ' ' ASP . . . -127.72 149.25 50.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -110.29 93.2 4.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.593 HD12 ' O ' ' A' ' 38' ' ' ALA . 49.0 mt -78.67 126.11 38.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.163 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.426 ' CD ' ' O ' ' A' ' 69' ' ' ASN . 6.1 tpp85 -112.28 130.1 56.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.862 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.461 ' CD1' ' HA3' ' A' ' 72' ' ' GLY . 3.4 m-85 -101.05 136.11 41.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.941 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.62 HD11 HD12 ' A' ' 93' ' ' LEU . 2.9 pp -135.84 164.75 31.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.101 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.516 ' CZ ' ' HG2' ' A' ' 62' ' ' LYS . 18.1 m-85 -63.42 133.88 54.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.901 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -55.88 -170.08 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.501 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.69 155.49 18.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.754 0.311 . . . . 0.0 111.154 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 85.4 mt-30 49.47 49.91 19.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.918 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.405 HG12 ' HE2' ' A' ' 62' ' ' LYS . 84.9 t -95.64 118.26 41.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.177 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.68 144.62 79.82 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.617 0.723 . . . . 0.0 111.039 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -44.37 2.11 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.645 2.23 . . . . 0.0 112.336 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -47.77 -40.38 20.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.076 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 87.5 m -68.19 -54.94 14.32 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.516 ' HG2' ' CZ ' ' A' ' 53' ' ' PHE . 42.9 mtmt -54.65 -34.51 62.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.7 ttm180 -58.42 -51.07 71.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.835 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.498 ' O ' ' N ' ' A' ' 77' ' ' GLN . 2.3 mp -69.82 -52.67 23.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.952 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -104.89 131.46 52.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.503 ' HB2' ' HG3' ' A' ' 77' ' ' GLN . . . -105.13 159.91 15.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.132 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.428 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 18.1 tp -137.81 125.14 21.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 58.5 m-20 -95.0 131.73 40.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.426 ' O ' ' CD ' ' A' ' 50' ' ' ARG . 1.3 m120 -85.95 -15.53 41.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.888 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 90.0 m -89.42 -28.4 19.77 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 77.2 p -114.38 -26.96 7.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.157 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.461 ' HA3' ' CD1' ' A' ' 51' ' ' TYR . . . 69.13 28.51 72.77 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.513 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.617 HD13 ' HB2' ' A' ' 35' ' ' GLN . 29.7 tp -112.36 134.29 53.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.741 0.305 . . . . 0.0 110.944 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.438 HD11 HG21 ' A' ' 92' ' ' VAL . 55.8 mt -98.23 132.13 43.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.118 179.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.759 HG22 ' HA ' ' A' ' 32' ' ' SER . 23.6 p -139.05 159.58 41.82 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 45.9 t -67.51 100.3 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.503 ' HG3' ' HB2' ' A' ' 66' ' ' ALA . 4.4 tt0 -67.0 -49.82 64.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 38.5 mtp180 -137.66 162.93 32.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 10.3 t -46.68 156.05 0.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.845 -179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.9 mt -106.54 142.26 36.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.427 ' CG ' ' HG2' ' A' ' 83' ' ' GLU . 9.6 t0 -124.71 127.66 47.61 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.906 179.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' A' ' 84' ' ' GLU . 17.3 mtp180 -87.29 -42.7 12.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.427 ' HG2' ' CG ' ' A' ' 81' ' ' ASP . 12.5 pt-20 -39.25 -26.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 82' ' ' ARG . 21.8 tp10 -99.89 -56.88 2.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.652 HG21 ' CE1' ' A' ' 88' ' ' HIS . 14.0 t -138.82 133.6 32.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.135 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -97.43 -28.76 13.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.077 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 65.0 mt -120.71 133.67 66.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.169 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.652 ' CE1' HG21 ' A' ' 85' ' ' THR . 69.1 m-70 -113.83 140.56 48.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.1 mmtp -125.79 105.8 9.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.942 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 52.0 t -114.15 134.91 55.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.16 179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 8.4 m -116.64 131.28 56.99 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.133 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.454 HG11 ' CD1' ' A' ' 36' ' ' LEU . 33.5 t -121.6 137.15 56.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.151 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.62 HD12 HD11 ' A' ' 52' ' ' ILE . 55.3 mt -102.93 155.94 18.01 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.937 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.455 ' HB2' ' CZ ' ' A' ' 14' ' ' PHE . . . -135.38 114.39 12.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.121 179.796 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.423 ' O ' HG23 ' A' ' 49' ' ' ILE . 15.0 p -115.65 133.62 55.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.408 ' OD1' ' CB ' ' A' ' 47' ' ' ALA . 0.6 OUTLIER -110.89 -47.65 3.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.825 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 146.87 137.5 3.01 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.473 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 37.2 m 52.8 44.55 30.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.905 0.383 . . . . 0.0 110.888 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.7 t -174.32 153.66 2.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.826 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 28.8 p -72.84 137.52 79.82 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.635 0.731 . . . . 0.0 111.115 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 146.2 59.41 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.721 2.281 . . . . 0.0 112.32 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -92.03 161.93 14.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.095 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 37.1 ptt180 -126.09 132.23 51.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -124.13 117.21 24.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.12 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 95.5 m -90.56 119.46 30.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.157 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 67.7 t -112.26 125.76 69.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.133 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 25.4 m -97.36 118.28 33.46 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.146 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 59.5 mt -107.45 101.71 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.162 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 67.8 m-20 -85.36 125.13 32.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 24.2 t -94.14 115.67 33.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 78.7 p -97.55 169.3 9.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.141 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -83.23 -177.75 6.86 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.576 HG21 ' HB2' ' A' ' 26' ' ' ASN . 19.6 m -148.07 129.8 6.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.136 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 53.9 p30 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.872 -179.97 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.9 t -120.07 146.65 45.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.886 0.374 . . . . 0.0 110.828 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.3 t 45.46 41.94 7.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.875 -179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.7 122.24 1.06 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.535 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.1 p -64.08 81.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.861 0.363 . . . . 0.0 110.839 -179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.4 p -78.92 158.19 28.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.847 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.33 130.0 0.87 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.51 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.2 m120 -150.4 169.72 20.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.842 0.353 . . . . 0.0 110.852 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 48.98 44.91 22.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.902 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -93.46 55.61 2.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 3.0 ptt-85 -60.45 141.13 91.79 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.607 0.718 . . . . 0.0 110.86 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 176.74 6.35 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.7 2.267 . . . . 0.0 112.346 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.4 p -142.23 133.61 25.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.08 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.525 ' CZ ' ' HB2' ' A' ' 94' ' ' ALA . 6.1 m-85 -97.62 76.86 2.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 29.4 ttmt -38.84 133.12 1.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.57 ' O ' HG23 ' A' ' 19' ' ' VAL . 27.7 mt-10 62.11 46.41 6.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.863 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -40.42 -88.17 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.553 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 21.3 mp0 -72.06 118.69 15.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.831 0.348 . . . . 0.0 110.935 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.57 HG23 ' O ' ' A' ' 16' ' ' GLU . 43.7 t -140.66 151.02 20.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.114 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -115.61 140.77 48.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.8 m -136.06 163.02 35.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.147 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -131.54 104.43 6.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.407 HD11 ' CB ' ' A' ' 27' ' ' ALA . 1.9 tt -123.44 135.9 26.57 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.616 0.722 . . . . 0.0 111.137 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.412 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 53.2 Cg_endo -69.78 148.26 64.55 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.7 2.267 . . . . 0.0 112.353 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -59.16 -39.7 83.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.572 ' ND2' HG21 ' A' ' 113' ' ' VAL . 79.6 m-20 -85.36 13.35 6.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.412 ' HB2' ' O ' ' A' ' 24' ' ' PRO . . . -45.05 143.51 2.36 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.567 0.698 . . . . 0.0 111.104 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 129.86 18.32 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.702 2.268 . . . . 0.0 112.329 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.496 HG13 ' O ' ' A' ' 76' ' ' VAL . 96.1 t -56.82 134.19 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.118 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 101.5 12.21 36.2 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.521 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 39.0 m -89.78 121.87 32.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.747 0.308 . . . . 0.0 111.165 -179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.681 ' OG ' HD11 ' A' ' 73' ' ' LEU . 38.4 t -68.3 112.54 5.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.9 t -81.61 -54.84 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.109 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.902 HD13 ' N ' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -141.9 152.94 18.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.145 179.921 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.902 ' N ' HD13 ' A' ' 34' ' ' ILE . 21.2 tt0 -132.78 128.13 36.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.413 HD22 ' CD1' ' A' ' 14' ' ' PHE . 17.0 mt -106.48 142.72 35.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.5 t-80 -133.93 107.11 7.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.834 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -125.99 109.21 12.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.113 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 24.8 p -127.99 133.96 49.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.495 ' O ' ' N ' ' A' ' 42' ' ' ASP . 1.3 p30 -74.21 98.09 3.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.864 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' A' ' 40' ' ' ASP . . . -34.45 -32.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.495 ' N ' ' O ' ' A' ' 40' ' ' ASP . 2.2 t70 -76.29 47.79 0.48 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 4.3 pt -58.26 109.8 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.15 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 177.07 -40.24 0.1 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.473 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 36.7 m -92.38 158.75 15.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.86 0.362 . . . . 0.0 110.892 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 53.4 m-20 -67.68 93.4 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.926 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -119.83 136.63 54.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.055 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.3 mt-10 -127.7 111.53 13.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.435 ' CG2' ' HB1' ' A' ' 94' ' ' ALA . 80.8 mt -100.89 119.37 48.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.123 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.2 mmt-85 -107.56 150.79 26.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.831 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.511 ' CD2' ' CA ' ' A' ' 72' ' ' GLY . 46.4 m-85 -110.82 104.96 13.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.903 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.447 HG22 ' ND2' ' A' ' 69' ' ' ASN . 8.6 pt -114.5 170.63 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.099 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.45 ' CD2' ' HD3' ' A' ' 62' ' ' LYS . 50.9 m-85 -64.97 141.59 58.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 91' ' ' THR . . . -78.45 -165.19 27.17 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.502 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -90.99 149.29 21.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.749 0.309 . . . . 0.0 111.082 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.2 mt-30 60.24 51.14 5.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 95.5 t -114.39 115.86 50.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.15 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.03 150.52 14.86 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.573 0.701 . . . . 0.0 111.082 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -35.64 12.27 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.683 2.255 . . . . 0.0 112.308 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -61.3 -47.55 85.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.072 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.542 HG21 HG22 ' A' ' 90' ' ' VAL . 30.8 m -57.63 -31.46 66.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.122 -179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.45 ' HD3' ' CD2' ' A' ' 53' ' ' PHE . 47.5 mttt -67.22 -36.9 82.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.902 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.455 ' O ' ' NE2' ' A' ' 77' ' ' GLN . 51.2 ttt180 -78.78 -67.38 0.75 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.885 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 96.4 mt -41.4 -45.73 3.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.434 ' CZ ' HD22 ' A' ' 80' ' ' LEU . 92.3 m-85 -108.77 126.61 53.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.05 145.9 24.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.112 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 15.5 tp -127.09 136.69 52.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.91 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -99.63 126.37 45.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.447 ' ND2' HG22 ' A' ' 52' ' ' ILE . 4.7 m120 -87.18 -3.8 59.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 76.2 p -106.57 -24.78 12.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.171 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 28.2 p -125.23 -0.63 7.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.155 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.511 ' CA ' ' CD2' ' A' ' 51' ' ' TYR . . . 47.99 35.2 12.84 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.513 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.681 HD11 ' OG ' ' A' ' 32' ' ' SER . 22.3 tp -105.64 145.48 30.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.837 0.351 . . . . 0.0 110.887 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.46 HD12 ' CG2' ' A' ' 34' ' ' ILE . 72.9 mt -113.63 117.31 55.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.107 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 28.7 p -121.63 159.6 26.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.125 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.496 ' O ' HG13 ' A' ' 29' ' ' VAL . 46.3 t -74.68 118.35 20.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.171 179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.455 ' NE2' ' O ' ' A' ' 63' ' ' ARG . 7.1 tt0 -81.56 -45.46 15.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 42.3 mtp180 -150.92 169.01 22.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 t -45.93 162.96 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.434 HD22 ' CZ ' ' A' ' 65' ' ' PHE . 2.5 mt -123.63 166.32 15.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.919 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -131.55 125.2 31.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 33.6 ttp180 -85.81 -25.09 26.5 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.1 mt-10 -57.81 -25.91 61.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.3 tp10 -92.35 -62.26 1.44 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.853 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.579 HG21 ' CE1' ' A' ' 88' ' ' HIS . 7.3 t -138.16 118.44 13.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.099 -179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -78.02 -38.0 45.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.097 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 87.5 mt -109.55 132.13 58.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.094 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.579 ' CE1' HG21 ' A' ' 85' ' ' THR . 44.5 m-70 -112.26 130.92 55.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 39.0 mttt -120.08 111.8 18.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.542 HG22 HG21 ' A' ' 61' ' ' THR . 88.5 t -118.03 137.25 52.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.125 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.839 HG23 ' O ' ' A' ' 104' ' ' ALA . 60.7 m -121.48 130.25 53.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.156 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 84.0 t -113.58 150.08 15.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.119 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' A' ' 103' ' ' ARG . 17.0 mt -125.24 137.07 54.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.929 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.525 ' HB2' ' CZ ' ' A' ' 14' ' ' PHE . . . -112.4 107.74 16.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.1 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 86.1 p -106.84 127.62 53.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 23.5 t0 -113.74 -47.8 2.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -158.98 -131.43 1.25 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.477 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 26.8 t -63.85 -40.15 95.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.871 0.367 . . . . 0.0 110.856 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 100' ' ' THR . 1.4 t -56.65 113.37 1.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.42 ' C ' ' O ' ' A' ' 99' ' ' SER . 29.5 p -36.01 142.6 0.3 Allowed Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.58 0.705 . . . . 0.0 111.175 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 131.16 20.67 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.665 2.243 . . . . 0.0 112.334 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.67 158.94 31.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.096 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.472 ' HA ' HD23 ' A' ' 93' ' ' LEU . 34.4 ptt85 -122.93 150.08 43.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.912 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.839 ' O ' HG23 ' A' ' 91' ' ' THR . . . -142.04 152.52 43.44 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.099 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 11.8 m -129.64 134.83 47.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.118 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 45.1 t -130.0 131.88 65.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.113 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.2 m -103.13 121.32 42.38 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 37.4 mt -113.4 133.79 58.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.14 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -112.33 143.25 43.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.875 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 57.1 t -119.06 107.77 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.133 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.455 ' OG1' ' N ' ' A' ' 112' ' ' ASP . 0.1 OUTLIER -104.38 171.46 7.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.074 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.455 ' N ' ' OG1' ' A' ' 111' ' ' THR . 27.5 t70 -61.22 169.29 2.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.572 HG21 ' ND2' ' A' ' 26' ' ' ASN . 1.3 t -115.59 -41.66 3.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.082 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.978 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.0 m 55.1 41.06 32.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.909 0.385 . . . . 0.0 110.818 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.6 m -110.41 85.99 2.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.876 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -55.91 -170.4 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.497 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 85.1 p -130.29 137.31 49.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.874 0.368 . . . . 0.0 110.837 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.8 p -46.16 148.36 0.89 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.53 110.79 1.29 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -91.89 -50.51 5.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.821 0.343 . . . . 0.0 110.911 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -63.46 108.24 1.3 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.847 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 15.1 m-20 -88.68 92.47 9.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -100.14 141.1 22.1 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.568 0.699 . . . . 0.0 110.929 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 120.3 7.11 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.704 2.269 . . . . 0.0 112.342 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.7 p -80.56 131.22 34.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.088 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -92.9 104.15 16.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 16.6 tttm -75.85 135.94 40.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.881 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 61.34 43.67 10.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.86 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -40.41 -64.95 1.06 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.481 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -93.51 126.06 38.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.814 0.34 . . . . 0.0 110.916 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 79.6 t -153.09 135.27 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.493 ' CG ' ' OD1' ' A' ' 109' ' ' ASN . 6.8 tt0 -98.22 120.96 39.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.6 m -118.2 153.85 20.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 7.3 p-80 -113.63 129.21 56.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.835 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.476 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 5.3 tt -149.05 136.37 10.96 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.693 0.758 . . . . 0.0 111.115 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.476 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.8 Cg_endo -69.72 150.33 68.34 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.725 2.284 . . . . 0.0 112.336 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -68.29 -30.99 70.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 40.1 m-20 -88.5 7.19 34.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.891 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -40.21 142.56 0.71 Allowed Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.604 0.716 . . . . 0.0 111.056 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 130.66 19.74 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.704 2.269 . . . . 0.0 112.345 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 19.4 t -51.7 121.05 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 106.79 15.84 15.63 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.508 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 90.5 m -78.11 140.67 39.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.782 0.325 . . . . 0.0 111.166 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 53.4 p -79.98 110.21 15.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 57.6 t -85.09 -73.05 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.118 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.513 HG21 HG11 ' A' ' 106' ' ' VAL . 4.4 tp -138.51 142.67 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.191 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.434 ' N ' HG13 ' A' ' 34' ' ' ILE . 40.6 tt0 -115.63 105.48 12.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.951 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.569 ' CD1' HG21 ' A' ' 92' ' ' VAL . 18.7 mt -80.29 123.8 28.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -111.25 107.32 16.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -131.22 96.13 3.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.076 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 77.2 p -125.87 129.64 49.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.096 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -115.05 174.0 6.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.838 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -40.1 110.69 0.16 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -102.16 46.26 0.93 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.83 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.2 pt -93.75 107.23 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.142 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 116.82 -81.4 0.31 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.477 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.5 t -113.5 141.62 46.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.913 0.387 . . . . 0.0 110.849 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.0 m-80 -84.22 79.83 9.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -56.76 126.2 25.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.089 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -97.84 85.13 3.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.922 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.555 HG21 ' HB1' ' A' ' 94' ' ' ALA . 14.1 mt -61.27 125.02 16.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.4 mmm-85 -105.11 125.94 51.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.827 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -89.89 127.87 36.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.952 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 7.6 pt -128.72 161.75 37.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.133 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -62.83 140.28 58.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.855 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -66.77 -150.93 0.15 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.501 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -104.48 152.48 22.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.755 0.312 . . . . 0.0 111.063 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 48.6 mt-30 51.11 52.13 15.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.2 t -99.22 134.59 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.096 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.97 143.41 97.96 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.564 0.697 . . . . 0.0 111.115 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -42.77 3.04 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.644 2.23 . . . . 0.0 112.358 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -47.81 -53.06 16.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.094 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 94.1 m -59.74 -62.74 1.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 11.7 mtpp -39.21 -30.83 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.7 ttt180 -83.11 -50.93 7.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.868 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.501 HD22 ' O ' ' A' ' 79' ' ' SER . 76.8 mt -59.72 -52.8 63.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.917 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -99.21 132.31 44.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.859 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -104.2 117.43 34.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.108 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 30.7 tp -93.13 88.82 6.22 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.916 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -49.75 124.82 10.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -92.79 26.0 2.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 40.3 p -122.86 -28.71 4.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.171 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 29.9 p -126.32 -28.71 3.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.11 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.41 35.57 16.88 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.471 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 6.3 tp -112.59 132.18 55.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.784 0.326 . . . . 0.0 110.942 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 10.3 mm -83.78 136.2 23.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.162 179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 40.2 p -139.86 174.99 9.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.088 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 93.5 t -100.92 111.16 29.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.148 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -82.99 -38.16 23.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 27.8 mtp85 -143.94 154.54 43.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.856 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.501 ' O ' HD22 ' A' ' 64' ' ' LEU . 4.0 m -44.11 155.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.8 mt -115.77 163.35 15.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -126.63 127.37 45.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.2 -41.53 16.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.872 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -50.11 -45.98 53.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -69.92 -64.86 0.8 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.735 HG21 ' CE1' ' A' ' 88' ' ' HIS . 7.4 t -124.54 136.98 54.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.12 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -96.47 -34.07 11.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.093 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.704 HG21 ' HE3' ' A' ' 89' ' ' LYS . 58.0 mt -120.69 147.67 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.122 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.735 ' CE1' HG21 ' A' ' 85' ' ' THR . 54.5 m-70 -127.46 115.48 18.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.829 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.704 ' HE3' HG21 ' A' ' 87' ' ' ILE . 0.9 OUTLIER -101.05 111.97 24.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.89 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 72.0 t -113.62 112.61 41.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.094 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 17.6 m -88.18 136.78 32.81 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.569 HG21 ' CD1' ' A' ' 36' ' ' LEU . 58.3 t -124.46 129.54 73.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 59.1 mt -114.98 131.91 56.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.555 ' HB1' HG21 ' A' ' 49' ' ' ILE . . . -115.38 108.38 16.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.082 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.3 t -111.16 127.22 55.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -119.28 -52.3 2.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.834 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -178.06 40.16 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.545 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.9 m -120.23 175.23 6.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.853 0.359 . . . . 0.0 110.808 -179.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 10.9 p -58.25 -55.81 30.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 15.4 p -132.96 135.78 26.5 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.604 0.716 . . . . 0.0 111.152 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 163.16 39.32 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.698 2.266 . . . . 0.0 112.325 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -83.7 147.57 27.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.096 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 -114.95 136.41 53.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.86 -179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -143.44 123.62 13.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.162 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 54.7 m -102.09 137.63 40.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.152 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.513 HG11 HG21 ' A' ' 34' ' ' ILE . 77.8 t -120.49 112.74 37.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.171 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 2.4 m -74.92 118.59 18.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.117 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 60.7 mt -116.08 110.19 30.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.19 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.51 ' N ' ' ND2' ' A' ' 109' ' ' ASN . 0.8 OUTLIER -86.68 149.74 24.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 65.7 t -113.62 113.68 44.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.113 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 40.2 p -102.46 170.85 7.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.148 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -101.36 144.66 29.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.886 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 31.0 m -92.55 -21.54 6.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.123 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 42.2 m-20 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.853 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.0 p -137.19 145.41 43.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.876 0.37 . . . . 0.0 110.814 -179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.7 p -78.68 137.73 37.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.882 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.7 -50.31 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.498 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.8 t -71.59 142.2 50.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.882 0.372 . . . . 0.0 110.872 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 m -80.81 -50.49 9.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.04 129.92 3.68 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.485 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -100.65 142.08 32.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.857 0.361 . . . . 0.0 110.908 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -95.73 161.16 14.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 24.2 p30 -95.95 54.65 1.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.894 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 28.7 ptt180 -157.98 143.91 12.59 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.634 0.731 . . . . 0.0 110.871 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 170.75 15.92 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.683 2.256 . . . . 0.0 112.323 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 93.3 t -148.79 130.78 5.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.898 ' CD2' ' HB2' ' A' ' 104' ' ' ALA . 22.9 m-85 -75.74 139.95 42.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 41.5 tptt -42.77 -47.73 5.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -151.38 116.24 5.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -42.88 -68.31 0.79 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.466 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -110.29 134.28 52.42 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.876 0.37 . . . . 0.0 110.908 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.5 t -146.05 143.91 21.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -109.5 131.24 55.25 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.9 m -121.95 147.19 26.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.524 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 7.0 p-80 -115.02 114.76 25.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.851 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.473 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 4.5 tt -139.19 136.52 18.16 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.651 0.739 . . . . 0.0 111.113 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.473 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.8 Cg_endo -69.82 155.6 65.32 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.68 2.253 . . . . 0.0 112.367 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -70.58 -37.72 73.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.4 ' O ' ' C ' ' A' ' 27' ' ' ALA . 60.5 t30 -78.09 -0.4 27.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.881 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 26' ' ' ASN . . . -36.51 143.71 0.3 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.63 0.729 . . . . 0.0 111.049 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 130.85 20.09 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.682 2.255 . . . . 0.0 112.372 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.5 t -54.82 124.66 8.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.139 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.84 -7.01 25.76 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.513 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 24.2 m -60.86 144.38 52.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.815 0.34 . . . . 0.0 111.128 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 79.7 p -85.17 107.83 17.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.849 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.412 HG21 ' HD2' ' A' ' 65' ' ' PHE . 38.9 t -72.77 -72.08 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.125 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.732 ' CG2' HD12 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -138.74 141.12 37.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.142 179.924 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.477 ' N ' HD13 ' A' ' 34' ' ' ILE . 2.1 tp-100 -120.19 123.93 44.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.541 HD22 ' CD1' ' A' ' 14' ' ' PHE . 54.7 mt -101.53 124.05 46.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.933 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 51.9 m80 -106.34 106.64 17.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.879 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -119.82 111.11 17.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.103 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 71.9 p -135.05 115.1 13.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.176 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -77.76 -42.12 35.2 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.919 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -129.59 119.97 24.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.095 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.29 -2.05 21.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.83 HD12 ' O ' ' A' ' 43' ' ' ILE . 2.6 pp -86.59 118.14 32.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.111 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 74.84 -89.09 0.76 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.484 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 83.5 p -121.66 -179.3 4.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.813 0.34 . . . . 0.0 110.877 -179.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -153.81 165.86 34.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.887 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -93.78 169.25 10.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -103.78 100.16 9.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.881 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.801 HG23 ' O ' ' A' ' 95' ' ' SER . 95.6 mt -85.06 126.91 40.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.097 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.6 mtm180 -92.89 133.47 36.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.576 ' CD1' ' HA3' ' A' ' 72' ' ' GLY . 77.2 m-85 -101.46 111.88 24.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 44.2 pt -110.74 174.83 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.121 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.475 ' CE1' ' HG2' ' A' ' 62' ' ' LYS . 54.1 m-85 -76.94 140.31 40.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -60.36 -154.91 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.457 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -104.49 154.1 20.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.773 0.32 . . . . 0.0 111.083 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 86.2 mt-30 48.57 47.31 20.62 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 96.5 t -101.8 117.71 47.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.17 147.86 64.36 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.546 0.688 . . . . 0.0 111.148 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -42.54 3.32 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.668 2.246 . . . . 0.0 112.381 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -47.54 -47.42 28.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.115 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 99.8 m -63.41 -31.39 72.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.121 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.475 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 9.9 mtmp? -79.25 -16.83 55.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -76.07 -59.04 2.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.879 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.44 ' CD2' ' HA ' ' A' ' 80' ' ' LEU . 9.5 mp -60.64 -48.4 81.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.944 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.476 ' CZ ' HD22 ' A' ' 80' ' ' LEU . 78.9 m-85 -101.16 138.32 38.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -118.85 125.36 49.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.117 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 8.3 tp -99.51 124.33 44.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.913 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 9.0 m-20 -78.99 115.37 18.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.924 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -79.04 9.25 4.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 46.9 p -116.21 -28.67 6.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.145 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 82.5 p -130.5 16.5 5.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.136 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.576 ' HA3' ' CD1' ' A' ' 51' ' ' TYR . . . 38.54 41.69 1.21 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.502 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 9.5 tp -115.11 131.21 57.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.8 0.333 . . . . 0.0 110.903 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.732 HD12 ' CG2' ' A' ' 34' ' ' ILE . 65.9 mt -98.91 119.15 46.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.199 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 13.3 p -118.1 162.6 17.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 86.0 t -79.86 107.03 11.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -69.45 -52.67 24.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 50.9 mtp180 -141.13 170.17 16.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 11.8 p -47.11 153.56 0.44 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.476 HD22 ' CZ ' ' A' ' 65' ' ' PHE . 6.2 mt -105.88 150.0 26.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.954 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -120.65 152.88 37.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.822 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.429 ' O ' ' N ' ' A' ' 84' ' ' GLU . 14.0 mtm105 -116.68 -40.15 3.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.858 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -40.57 -26.68 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.922 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.429 ' N ' ' O ' ' A' ' 82' ' ' ARG . 0.6 OUTLIER -98.96 -59.58 1.7 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.591 HG21 ' CE1' ' A' ' 88' ' ' HIS . 14.6 t -137.84 137.38 38.08 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 -179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -98.8 -43.42 6.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 47.4 mm -100.44 138.84 23.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.151 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.591 ' CE1' HG21 ' A' ' 85' ' ' THR . 58.2 m-70 -123.78 116.76 23.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.787 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.1 mttm -108.83 105.32 14.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.896 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 67.3 t -110.42 131.69 60.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.144 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 45.3 m -108.55 113.63 26.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.144 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 38.2 t -98.7 143.72 12.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.104 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 74.0 mt -109.95 155.53 21.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.876 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -141.5 123.4 15.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.087 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.801 ' O ' HG23 ' A' ' 49' ' ' ILE . 10.4 t -125.95 150.25 48.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -132.99 30.69 3.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.855 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 136.5 -99.53 0.31 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.452 ' O ' ' C ' ' A' ' 99' ' ' SER . 44.7 m -106.7 -49.4 3.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.848 0.356 . . . . 0.0 110.892 -179.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.452 ' C ' ' O ' ' A' ' 98' ' ' SER . 85.1 p -34.48 130.93 0.35 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 69.4 p -44.15 142.69 2.1 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-O 121.567 0.698 . . . . 0.0 111.178 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.72 121.3 8.0 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.641 2.227 . . . . 0.0 112.343 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.14 141.41 57.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.098 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 12.8 ptt-85 -111.37 149.34 31.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.828 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.898 ' HB2' ' CD2' ' A' ' 14' ' ' PHE . . . -149.64 122.07 8.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.071 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 87.4 m -88.83 135.53 33.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 88.0 t -125.46 132.57 70.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.156 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 19.8 m -106.76 114.75 29.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.123 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 19.7 mt -106.03 131.69 54.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.173 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -114.78 133.45 55.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 48.4 t -98.45 115.21 38.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 44.4 p -100.56 154.28 18.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.173 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -58.24 179.67 0.07 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.833 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.444 ' CG1' ' HB2' ' A' ' 24' ' ' PRO . 0.6 OUTLIER -140.19 119.81 12.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.146 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 8.5 p30 . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.5 m -89.76 -61.01 1.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.881 0.372 . . . . 0.0 110.921 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.9 m -43.51 162.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.853 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.54 -84.94 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.474 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.2 t 41.22 44.98 2.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.901 0.381 . . . . 0.0 110.863 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.5 p -129.42 124.91 35.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.834 -179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.13 53.03 0.51 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.459 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -40.73 -57.1 2.0 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.81 0.338 . . . . 0.0 110.879 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 42.57 40.55 1.99 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.823 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 78.4 m-20 -122.34 112.75 18.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.934 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.5 ttp180 -94.6 139.19 22.21 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.597 0.713 . . . . 0.0 110.874 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.443 ' HD3' ' CG ' ' A' ' 96' ' ' ASP . 53.1 Cg_endo -69.81 95.83 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.707 2.271 . . . . 0.0 112.302 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.5 m -100.26 126.71 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.123 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 1.024 ' CD1' HD22 ' A' ' 36' ' ' LEU . 79.7 m-85 -63.69 165.86 7.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.9 ptmt -66.39 -51.04 61.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.926 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -132.88 127.45 34.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -38.57 -61.43 1.29 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.461 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.95 159.74 39.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.845 0.355 . . . . 0.0 110.896 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 60.8 t -150.01 133.98 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.105 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -101.14 135.1 43.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 32.4 m -132.38 165.81 31.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 56.9 p-80 -133.21 115.03 14.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.821 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.466 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 6.9 tt -127.76 136.23 28.67 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.644 0.735 . . . . 0.0 111.153 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.466 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.5 Cg_endo -69.81 137.35 35.12 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.648 2.232 . . . . 0.0 112.36 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -50.99 -40.52 58.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.474 ' HB2' HG11 ' A' ' 113' ' ' VAL . 8.3 m-80 -85.65 24.22 1.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.46 ' HB2' ' O ' ' A' ' 24' ' ' PRO . . . -59.64 143.28 86.78 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.579 0.704 . . . . 0.0 111.109 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 128.07 15.5 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.669 2.246 . . . . 0.0 112.337 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.551 HG13 ' O ' ' A' ' 76' ' ' VAL . 94.4 t -53.19 122.3 3.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.128 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 110.37 15.83 10.99 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.514 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 24.8 m -87.45 116.72 25.75 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.806 0.336 . . . . 0.0 111.116 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.432 ' HA ' HG22 ' A' ' 75' ' ' THR . 78.3 p -58.67 106.48 0.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 65.5 t -78.17 -61.32 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.107 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.522 ' CG2' HD12 ' A' ' 74' ' ' ILE . 6.4 tp -144.71 146.55 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.147 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.444 ' N ' HG13 ' A' ' 34' ' ' ILE . 20.1 tt0 -128.44 125.64 38.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.921 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 1.024 HD22 ' CD1' ' A' ' 14' ' ' PHE . 19.9 mt -100.55 127.92 46.76 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 63.2 t60 -112.71 105.79 14.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -129.99 103.7 6.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 32.6 p -123.88 146.47 48.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.156 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -136.15 150.42 49.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.837 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -41.91 114.21 0.51 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.099 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -84.68 33.59 0.52 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.848 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.73 HD12 ' O ' ' A' ' 43' ' ' ILE . 2.0 pp -105.45 118.86 53.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.144 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 123.72 -73.39 0.4 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.474 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 13.7 t -138.15 119.49 14.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.87 0.367 . . . . 0.0 110.847 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.5 t-20 -63.86 119.58 10.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -123.14 139.83 53.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -105.32 93.92 4.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.877 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 75.1 mt -62.88 124.53 17.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.115 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.49 ' CD ' ' HB3' ' A' ' 69' ' ' ASN . 13.1 tpp180 -108.86 120.38 42.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.45 ' O ' ' CG ' ' A' ' 69' ' ' ASN . 41.5 m-85 -93.91 120.5 34.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.964 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.626 HG22 ' OD1' ' A' ' 69' ' ' ASN . 0.2 OUTLIER -136.34 167.24 24.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.148 179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 69.1 m-85 -68.11 147.57 52.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -65.39 -155.29 0.22 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.495 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.72 156.05 17.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.723 0.296 . . . . 0.0 111.075 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 60.37 42.0 15.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 44.5 t -100.75 130.75 49.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.082 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.79 149.36 87.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.612 0.72 . . . . 0.0 111.06 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -49.86 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.659 2.239 . . . . 0.0 112.354 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -40.9 -47.3 2.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.101 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.576 HG21 HG22 ' A' ' 90' ' ' VAL . 84.9 m -57.57 -46.02 84.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.16 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -58.91 -61.97 2.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.883 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 43.9 ttt180 -37.91 -48.19 1.13 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 9.8 mp -67.17 -58.38 4.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.909 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.741 ' CZ ' HD22 ' A' ' 80' ' ' LEU . 75.8 m-85 -105.03 122.56 46.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -99.78 139.63 35.16 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.097 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 50.2 tp -114.03 135.03 54.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.917 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 45.4 m-20 -100.36 143.45 30.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.879 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.76 HD22 ' N ' ' A' ' 69' ' ' ASN . 0.6 OUTLIER -98.59 -4.98 32.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 68.8 p -105.19 -24.76 12.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.164 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 80.2 p -122.39 -14.91 7.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.089 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 54.84 39.58 68.57 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.438 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.427 HD13 ' HB2' ' A' ' 35' ' ' GLN . 14.8 tp -120.95 127.93 52.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.8 0.333 . . . . 0.0 110.944 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.522 HD12 ' CG2' ' A' ' 34' ' ' ILE . 55.0 mt -94.49 124.05 46.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.154 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.432 HG22 ' HA ' ' A' ' 32' ' ' SER . 20.1 p -125.99 159.9 31.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.158 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.551 ' O ' HG13 ' A' ' 29' ' ' VAL . 95.2 t -72.19 105.64 2.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.127 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 16.0 tt0 -80.06 -44.37 20.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 76.8 mtt-85 -136.47 164.11 28.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 7.3 t -48.92 153.79 0.82 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.741 HD22 ' CZ ' ' A' ' 65' ' ' PHE . 3.7 mt -108.46 142.4 38.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -112.08 119.98 40.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.892 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.4 tmm_? -82.95 -51.35 7.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.818 -179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -42.1 -47.67 4.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.899 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -69.09 -63.39 1.07 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.878 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.7 HG21 ' CE1' ' A' ' 88' ' ' HIS . 11.9 t -130.72 128.41 40.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.176 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -88.46 -48.16 7.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.079 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 21.9 mt -108.13 133.77 52.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.7 ' CE1' HG21 ' A' ' 85' ' ' THR . 26.5 m-70 -110.58 116.18 30.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 17.3 mmtp -101.32 108.53 20.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.883 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.576 HG22 HG21 ' A' ' 61' ' ' THR . 57.5 t -122.21 127.01 75.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.108 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 11.7 m -106.75 131.59 53.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 88.6 t -105.96 145.0 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' A' ' 93' ' ' LEU . 13.5 mt -116.42 132.71 56.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.935 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -118.87 117.96 30.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.08 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 45.8 t -118.69 132.94 56.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.852 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.443 ' CG ' ' HD3' ' A' ' 12' ' ' PRO . 17.2 p-10 -109.62 -50.6 2.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.864 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -168.34 -122.04 0.6 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.453 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.1 m -80.27 43.98 0.66 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.923 0.392 . . . . 0.0 110.884 -179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 100' ' ' THR . 36.0 m -139.92 122.84 16.61 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.85 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.595 HG23 ' HD2' ' A' ' 101' ' ' PRO . 88.2 m -36.13 137.83 0.47 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.574 0.702 . . . . 0.0 111.126 -179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.595 ' HD2' HG23 ' A' ' 100' ' ' THR . 53.9 Cg_endo -69.74 140.09 41.89 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.679 2.253 . . . . 0.0 112.344 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -87.33 156.93 19.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.126 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 5.1 ptp85 -131.39 145.49 51.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.888 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -139.31 120.29 14.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.099 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 62.3 m -83.23 125.69 31.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.191 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.451 HG11 HG21 ' A' ' 34' ' ' ILE . 99.3 t -117.71 121.62 67.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.094 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 12.0 m -98.3 120.95 39.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.085 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 27.6 mt -114.94 107.31 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.128 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 81.7 m-20 -89.53 146.82 24.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 76.2 t -109.85 117.15 54.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.126 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 21.5 p -96.69 171.75 8.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.193 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -81.0 157.98 25.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.888 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.592 HG23 ' O ' ' A' ' 113' ' ' VAL . 33.0 m -120.89 114.65 44.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 3.3 t30 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.855 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -109.16 102.78 11.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.875 0.369 . . . . 0.0 110.876 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.6 m -161.64 167.38 25.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.34 -68.89 0.1 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.491 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.3 m 55.54 42.9 29.24 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.945 0.402 . . . . 0.0 110.866 -179.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.7 m -49.89 169.52 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.856 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.02 -71.43 0.42 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.52 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.9 p30 -86.14 144.14 27.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.784 0.326 . . . . 0.0 110.883 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -92.28 39.46 1.02 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 78.1 m-20 64.69 43.91 4.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -140.59 144.63 37.17 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.601 0.715 . . . . 0.0 110.881 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -164.22 0.12 Allowed 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.657 2.238 . . . . 0.0 112.331 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.8 p -173.12 131.1 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.507 ' CD1' HD23 ' A' ' 36' ' ' LEU . 15.7 m-85 -83.32 121.92 27.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.91 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 14' ' ' PHE . 25.5 ttmt -37.07 -53.72 0.99 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.872 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -135.76 126.04 26.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -61.51 -60.1 8.77 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.497 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -112.75 128.92 56.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.871 0.367 . . . . 0.0 110.875 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.6 t -134.59 117.4 23.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.156 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -89.62 126.4 35.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 24.6 m -118.14 153.75 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.525 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 27.9 p-80 -117.4 113.92 22.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.468 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 0.7 OUTLIER -140.39 138.58 19.14 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.634 0.73 . . . . 0.0 111.141 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.468 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 54.0 Cg_endo -69.75 151.0 68.99 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.644 2.23 . . . . 0.0 112.386 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.455 ' HB3' ' CG1' ' A' ' 110' ' ' VAL . 21.3 pt-20 -64.83 -32.96 74.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.904 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.435 ' O ' ' CG ' ' A' ' 26' ' ' ASN . 31.2 t30 -94.19 27.67 2.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.937 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.414 ' CB ' HD11 ' A' ' 23' ' ' ILE . . . -58.19 144.08 77.6 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.613 0.72 . . . . 0.0 111.11 179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 133.22 25.04 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.671 2.247 . . . . 0.0 112.337 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.464 HG13 ' O ' ' A' ' 76' ' ' VAL . 94.6 t -55.53 129.1 16.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.108 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 107.77 2.83 34.62 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.527 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 25.5 m -78.65 128.01 32.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.786 0.327 . . . . 0.0 111.188 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -69.89 114.48 8.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.883 -179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 6.6 t -85.54 -67.38 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.157 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 7.7 tp -141.64 140.67 30.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.13 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.528 ' HB2' HD13 ' A' ' 73' ' ' LEU . 31.4 tt0 -131.37 129.06 40.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.507 HD23 ' CD1' ' A' ' 14' ' ' PHE . 5.0 mp -98.23 148.93 23.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.952 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.8 t-160 -135.36 106.53 6.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.838 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -126.68 127.79 45.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.114 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 40' ' ' ASP . 77.2 p -136.22 108.22 7.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 39' ' ' THR . 28.4 t0 -36.51 -56.59 0.8 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -133.97 111.16 10.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.103 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -38.82 -34.79 0.16 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.857 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.2 tp -87.24 99.31 8.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.101 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 49.75 99.52 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.535 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 39.1 t -98.27 99.12 10.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.858 0.361 . . . . 0.0 110.817 -179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -89.7 70.65 7.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.865 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -161.88 117.31 2.0 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.09 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.9 mp0 -75.12 86.32 2.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.875 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 80.6 mt -68.82 113.98 5.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.158 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 22.1 mmt-85 -98.34 127.37 44.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.425 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 9.9 m-85 -102.05 141.68 34.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.926 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 27.2 pt -141.33 178.15 3.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.106 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.539 ' CE1' ' HG2' ' A' ' 62' ' ' LYS . 42.4 m-85 -79.38 139.13 37.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -69.11 -176.4 13.22 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.467 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -85.58 154.85 21.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.779 0.323 . . . . 0.0 111.073 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 55.34 52.28 11.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 85.1 t -113.9 112.67 41.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -46.67 144.51 3.51 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.552 0.691 . . . . 0.0 111.096 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -30.03 22.78 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.67 2.247 . . . . 0.0 112.366 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.24 -36.0 82.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.067 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.568 HG21 HG22 ' A' ' 90' ' ' VAL . 24.7 m -70.2 -43.23 71.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.158 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.539 ' HG2' ' CE1' ' A' ' 53' ' ' PHE . 36.0 mtmt -67.52 -30.98 70.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.936 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -76.84 -38.06 54.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 43.8 mt -76.61 -34.43 58.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.946 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -112.64 125.85 54.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.852 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.56 130.37 44.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.133 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 41.1 tp -109.87 137.2 47.99 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.906 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -100.97 118.2 36.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.905 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.425 ' ND2' ' O ' ' A' ' 51' ' ' TYR . 1.0 OUTLIER -82.06 2.78 29.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.93 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 70.4 p -113.6 -23.6 9.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.169 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 63.8 p -124.64 -12.02 7.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.14 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 56.74 39.48 87.0 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.481 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.528 HD13 ' HB2' ' A' ' 35' ' ' GLN . 20.8 tp -120.62 131.69 54.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.773 0.321 . . . . 0.0 110.883 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 70.4 mt -101.72 128.64 53.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.14 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 31.8 p -129.2 159.48 35.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.464 ' O ' HG13 ' A' ' 29' ' ' VAL . 97.7 t -72.31 106.17 2.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -79.06 -35.45 42.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.906 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 33.7 mtt-85 -145.9 164.83 30.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.9 t -58.5 146.35 35.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.816 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.1 mt -109.92 152.72 25.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -130.65 158.37 40.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.835 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.424 ' O ' ' N ' ' A' ' 84' ' ' GLU . 11.1 mtt180 -100.4 -38.51 8.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.837 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -41.95 -24.86 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.874 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 82' ' ' ARG . 2.0 tm-20 -99.35 -65.34 0.97 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.864 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.675 HG21 ' CE1' ' A' ' 88' ' ' HIS . 10.4 t -137.69 121.32 17.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.146 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -78.39 -44.44 24.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.118 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 88.8 mt -109.91 138.52 37.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.098 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.675 ' CE1' HG21 ' A' ' 85' ' ' THR . 25.1 m-70 -114.93 118.42 33.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 26.1 mmtp -103.14 105.08 15.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.568 HG22 HG21 ' A' ' 61' ' ' THR . 57.3 t -114.54 129.78 70.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.124 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 14.8 m -113.47 129.53 56.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.157 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 59.8 t -106.93 145.77 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.149 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.629 HD21 ' HD3' ' A' ' 103' ' ' ARG . 53.9 mt -119.47 129.23 54.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -120.84 119.31 32.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.119 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 35.4 t -120.4 130.2 54.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.828 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -122.13 -55.21 1.88 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.894 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -172.72 48.5 0.17 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.529 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.3 t -134.02 172.02 13.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.872 0.368 . . . . 0.0 110.878 -179.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 29.3 t -62.34 -61.94 2.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.854 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.674 HG23 ' HD2' ' A' ' 101' ' ' PRO . 83.4 m -110.49 139.19 21.3 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.576 0.703 . . . . 0.0 111.162 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.674 ' HD2' HG23 ' A' ' 100' ' ' THR . 53.4 Cg_endo -69.76 177.51 5.51 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.695 2.263 . . . . 0.0 112.295 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -98.43 129.17 45.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.102 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.629 ' HD3' HD21 ' A' ' 93' ' ' LEU . 12.2 mmt85 -90.62 144.48 25.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.456 ' HB2' ' CD2' ' A' ' 14' ' ' PHE . . . -145.64 118.39 8.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.093 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 26.1 m -102.84 132.91 48.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.14 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 47.7 t -126.24 122.74 62.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.074 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 25.5 m -95.1 107.81 19.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 41.2 mt -101.42 102.54 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.133 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -85.11 129.16 34.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.899 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.455 ' CG1' ' HB3' ' A' ' 25' ' ' GLU . 92.4 t -95.76 118.23 41.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.127 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 68.2 p -97.13 155.96 16.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.13 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -67.08 173.92 3.44 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.887 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.461 ' CG1' ' HB2' ' A' ' 24' ' ' PRO . 2.8 m -146.32 120.11 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.125 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 26.5 m-20 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.918 179.969 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.7 p -126.83 172.81 10.07 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.856 0.36 . . . . 0.0 110.868 -179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.0 t -80.16 111.57 16.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.821 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.24 156.66 15.86 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.437 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.9 p -92.89 2.33 56.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.881 0.372 . . . . 0.0 110.848 -179.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 t -127.07 88.93 2.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.866 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.4 101.3 0.37 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.515 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.494 HD22 ' N ' ' A' ' 8' ' ' ASN . 0.1 OUTLIER -142.71 151.16 41.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.85 0.357 . . . . 0.0 110.846 -179.879 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -75.5 -59.82 2.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 47.92 38.49 9.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.874 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -144.67 150.51 47.21 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.598 0.714 . . . . 0.0 110.872 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 106.1 1.61 Allowed 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.695 2.263 . . . . 0.0 112.34 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 84.1 t -85.93 137.01 21.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.77 ' CD2' ' HB2' ' A' ' 104' ' ' ALA . 7.7 m-85 -86.18 149.29 25.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.895 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 11.7 ttpt -63.75 -50.93 67.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.84 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 15.8 mp0 -138.58 110.42 7.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.887 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -47.55 -54.71 10.34 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.49 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -120.03 136.91 54.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.84 0.353 . . . . 0.0 110.917 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 52.1 t -147.13 125.95 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -95.14 132.66 39.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 29.1 m -128.46 149.26 33.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.163 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -112.3 105.79 14.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.853 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.478 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 8.8 tt -120.75 136.04 25.16 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.679 0.752 . . . . 0.0 111.103 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.688 ' HG2' ' HB2' ' A' ' 27' ' ' ALA . 53.4 Cg_endo -69.78 162.46 41.98 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.699 2.266 . . . . 0.0 112.318 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -82.7 -19.15 38.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.879 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.483 ' HB3' HG11 ' A' ' 113' ' ' VAL . 33.0 t30 -105.19 19.3 20.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.688 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -56.58 143.88 66.18 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.593 0.711 . . . . 0.0 111.089 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 149.24 66.93 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.686 2.257 . . . . 0.0 112.32 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 96.4 t -69.85 117.25 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.065 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 118.62 1.47 15.3 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.509 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 4.7 m -67.17 153.19 44.27 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.811 0.339 . . . . 0.0 111.1 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 78.9 p -93.26 121.24 34.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.829 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 89.7 t -91.43 -70.18 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.139 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.4 HG13 ' N ' ' A' ' 35' ' ' GLN . 4.3 tp -136.91 141.32 40.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.153 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.4 ' N ' HG13 ' A' ' 34' ' ' ILE . 23.2 tt0 -113.08 97.9 6.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.917 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.556 HD12 HG21 ' A' ' 92' ' ' VAL . 34.1 mt -88.51 136.76 32.83 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -136.14 127.74 28.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -132.58 133.19 43.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.068 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.7 p -128.92 161.38 30.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.138 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -143.95 152.87 41.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.99 76.12 0.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.136 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 49.3 m-20 -103.94 92.24 4.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.862 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.0 pt -98.65 93.11 3.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.146 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 134.21 -56.42 0.72 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.505 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 14.4 m -125.66 118.36 25.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.881 0.372 . . . . 0.0 110.872 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -71.82 133.15 45.32 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 49' ' ' ILE . . . -103.39 92.31 4.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.095 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -53.0 87.76 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 47' ' ' ALA . 70.0 mt -61.95 118.47 4.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.143 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.446 ' CD ' ' O ' ' A' ' 69' ' ' ASN . 17.7 mmt85 -96.28 143.44 27.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.526 ' CD1' ' CA ' ' A' ' 72' ' ' GLY . 65.6 m-85 -113.28 113.85 25.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.952 -179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 20.4 pt -120.58 160.47 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.113 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 49.7 m-85 -67.26 131.71 46.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.498 ' HA2' HD23 ' A' ' 93' ' ' LEU . . . -57.94 -166.96 0.12 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.14 155.81 16.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.748 0.309 . . . . 0.0 111.086 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 86.9 mt-30 60.7 42.11 14.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 93.0 t -106.91 117.47 52.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.119 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -48.04 146.56 4.17 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.534 0.683 . . . . 0.0 111.141 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -36.41 10.83 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.677 2.252 . . . . 0.0 112.34 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -58.98 -47.58 84.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.075 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 43.3 m -59.03 -41.65 88.3 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.129 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 29.7 mtmt -68.2 -27.21 66.19 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.862 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 40.5 mtm180 -74.06 -52.41 12.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.672 HD12 HD23 ' A' ' 80' ' ' LEU . 3.9 mm? -59.5 -51.34 70.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.953 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.416 ' HB3' ' CG2' ' A' ' 74' ' ' ILE . 73.8 m-85 -104.47 134.49 47.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.443 ' HB2' HE21 ' A' ' 77' ' ' GLN . . . -107.67 130.98 54.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.1 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 30.9 tp -93.93 121.91 35.89 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 -82.81 111.02 18.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.446 ' O ' ' CD ' ' A' ' 50' ' ' ARG . 1.2 m120 -83.64 18.92 1.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 27.3 p -117.66 -28.88 5.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.146 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 34.4 p -126.53 -26.11 3.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.136 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.526 ' CA ' ' CD1' ' A' ' 51' ' ' TYR . . . 89.46 25.53 27.91 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.523 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.834 ' CD2' HG23 ' A' ' 75' ' ' THR . 7.1 tt -110.87 149.0 31.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.773 0.32 . . . . 0.0 110.934 -179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.416 ' CG2' ' HB3' ' A' ' 65' ' ' PHE . 99.6 mt -111.9 123.86 68.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.163 179.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.834 HG23 ' CD2' ' A' ' 73' ' ' LEU . 5.2 p -119.27 172.45 7.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.144 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 47.4 t -80.52 112.96 19.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.131 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.443 HE21 ' HB2' ' A' ' 66' ' ' ALA . 23.8 tt0 -78.02 -40.13 39.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.958 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.4 ' HG3' ' C ' ' A' ' 77' ' ' GLN . 61.1 mtt180 -151.21 173.51 14.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.4 t -58.72 134.31 56.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.672 HD23 HD12 ' A' ' 64' ' ' LEU . 3.6 mt -89.96 155.77 18.89 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.931 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -122.13 114.74 21.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.811 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 3.3 tmm_? -72.65 -49.17 33.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -44.92 -34.85 2.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -79.38 -63.76 1.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.597 HG21 ' CE1' ' A' ' 88' ' ' HIS . 7.5 t -131.58 133.39 44.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.121 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -97.51 -29.56 13.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.108 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 47.4 mt -124.27 132.42 71.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.146 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.597 ' CE1' HG21 ' A' ' 85' ' ' THR . 34.8 m-70 -112.36 145.19 40.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -126.68 108.69 11.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.956 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 50.4 t -121.88 138.57 51.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.161 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 23.0 m -119.37 118.3 30.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.556 HG21 HD12 ' A' ' 36' ' ' LEU . 49.3 t -99.46 107.78 21.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.084 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.717 HD12 ' HG2' ' A' ' 101' ' ' PRO . 4.2 mm? -84.44 142.7 29.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.899 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -118.48 112.83 20.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.093 179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.3 t -129.64 137.24 50.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.873 -179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -133.14 1.36 3.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.833 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 128.51 47.98 0.16 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.478 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 56.8 m -152.06 -175.04 5.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.929 0.395 . . . . 0.0 110.817 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.448 ' O ' ' C ' ' A' ' 100' ' ' THR . 17.8 t -51.84 -175.98 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.881 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.566 HG23 ' HD2' ' A' ' 101' ' ' PRO . 52.4 m -34.08 136.52 0.34 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.639 0.733 . . . . 0.0 111.15 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.717 ' HG2' HD12 ' A' ' 93' ' ' LEU . 53.8 Cg_endo -69.79 163.65 37.49 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.72 2.28 . . . . 0.0 112.353 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.51 ' O ' HD13 ' A' ' 93' ' ' LEU . . . -68.47 136.96 54.02 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.08 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 24.6 mtt180 -97.75 124.64 42.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.926 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.77 ' HB2' ' CD2' ' A' ' 14' ' ' PHE . . . -135.18 116.1 14.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.108 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 88.6 m -95.55 137.75 34.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.176 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 81.3 t -130.1 102.92 7.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 6.5 m -72.16 128.32 35.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 33.6 mt -119.84 101.55 11.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -84.76 133.41 34.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 86.5 t -93.58 121.49 44.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.098 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 72.3 p -107.12 147.84 29.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.15 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -66.61 160.27 25.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.846 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.483 HG11 ' HB3' ' A' ' 26' ' ' ASN . 15.4 m -118.8 -22.43 4.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 179.947 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.506 -0.237 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -85.98 159.39 19.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.856 0.36 . . . . 0.0 110.854 -179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.5 t -86.64 42.74 1.03 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.83 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.77 163.38 23.56 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.512 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.7 t -106.37 164.05 12.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.917 0.389 . . . . 0.0 110.83 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.3 m -132.06 169.58 16.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.875 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.18 76.24 0.61 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.481 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -143.66 110.43 5.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.84 0.352 . . . . 0.0 110.885 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.6 157.32 38.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 42.0 m-20 -95.04 30.4 2.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.7 ttp180 -82.06 138.67 45.91 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.594 0.711 . . . . 0.0 110.863 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 127.15 14.19 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.685 2.256 . . . . 0.0 112.37 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.2 p -104.52 126.43 59.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.473 ' CZ ' ' HB2' ' A' ' 94' ' ' ALA . 22.7 m-85 -75.7 117.46 17.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.43 ' C ' ' O ' ' A' ' 14' ' ' PHE . 49.9 tttt -36.14 -53.87 0.79 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.406 ' HB3' ' CG2' ' A' ' 19' ' ' VAL . 6.8 mt-10 -127.8 126.53 41.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.09 -70.32 1.27 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.464 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -105.59 120.15 40.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.822 0.344 . . . . 0.0 110.929 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.406 ' CG2' ' HB3' ' A' ' 16' ' ' GLU . 20.5 t -131.94 135.88 57.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.119 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -106.22 127.68 53.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.543 HG21 ' CG1' ' A' ' 33' ' ' VAL . 18.5 m -127.54 147.74 32.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.104 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.496 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 27.0 p-80 -110.96 116.54 31.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.842 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.468 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 2.8 tt -134.05 136.94 27.18 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.658 0.742 . . . . 0.0 111.119 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.468 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.6 Cg_endo -69.74 144.4 54.01 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.697 2.264 . . . . 0.0 112.327 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -59.36 -35.25 73.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.781 ' HB2' HG21 ' A' ' 113' ' ' VAL . 39.1 t30 -91.15 29.4 1.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.27 143.96 97.59 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.569 0.7 . . . . 0.0 111.109 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 135.68 31.12 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.704 2.269 . . . . 0.0 112.293 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.451 HG13 ' O ' ' A' ' 76' ' ' VAL . 77.7 t -60.65 126.21 18.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.105 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.93 12.29 20.83 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.515 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 24.7 m -87.4 121.72 30.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.752 0.31 . . . . 0.0 111.127 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.747 ' HB2' HD11 ' A' ' 73' ' ' LEU . 97.6 p -70.69 105.03 3.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.543 ' CG1' HG21 ' A' ' 21' ' ' VAL . 93.8 t -73.9 -55.91 10.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.147 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.424 HG21 HG11 ' A' ' 106' ' ' VAL . 7.4 tt -145.03 142.94 22.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.114 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 45.8 tt0 -114.25 107.01 15.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.51 HD12 HG21 ' A' ' 92' ' ' VAL . 97.0 mt -91.28 121.86 33.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.879 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.479 ' CD2' HG23 ' A' ' 39' ' ' THR . 2.4 t-160 -121.34 108.04 13.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -107.1 99.92 9.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.081 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.479 HG23 ' CD2' ' A' ' 37' ' ' HIS . 29.8 p -104.23 153.9 20.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.148 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -127.92 -53.72 1.31 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.891 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -160.39 171.35 19.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.075 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.57 70.38 0.18 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' A' ' 45' ' ' SER . 11.9 pt -98.91 89.36 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -56.9 85.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.455 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 43' ' ' ILE . 70.1 m 51.21 52.82 14.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.913 0.387 . . . . 0.0 110.926 -179.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -100.6 -43.97 6.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.496 ' O ' ' N ' ' A' ' 49' ' ' ILE . . . -129.63 87.19 2.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.09 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -50.18 87.21 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.496 ' N ' ' O ' ' A' ' 47' ' ' ALA . 10.4 mt -55.78 112.47 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.111 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 45.2 mmm-85 -89.39 150.96 22.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 92.6 m-85 -126.74 124.23 39.27 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.924 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.46 HD11 HD12 ' A' ' 93' ' ' LEU . 20.9 pt -133.24 171.2 18.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.107 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.401 ' CZ ' ' CB ' ' A' ' 67' ' ' LEU . 60.8 m-85 -78.84 144.23 35.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.871 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -73.5 -168.29 14.97 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.489 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -89.83 158.53 17.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.757 0.313 . . . . 0.0 111.129 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 61.02 41.81 13.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 87.0 t -109.25 128.63 65.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.09 144.83 99.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.593 0.711 . . . . 0.0 111.139 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -44.09 2.25 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.664 2.243 . . . . 0.0 112.308 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.21 -48.02 62.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.129 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.474 HG21 HG22 ' A' ' 90' ' ' VAL . 40.8 m -59.79 -37.79 80.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.162 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -72.23 -29.6 64.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 41.2 mtm-85 -74.62 -49.82 20.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.435 HD22 ' O ' ' A' ' 79' ' ' SER . 91.3 mt -67.24 -36.87 82.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 99.4 m-85 -109.2 121.79 45.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.881 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -90.36 137.29 32.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.116 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.401 ' CB ' ' CZ ' ' A' ' 53' ' ' PHE . 53.3 tp -111.8 132.31 54.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -95.59 138.57 33.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.89 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -101.71 5.03 41.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.861 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 43.1 p -117.79 -27.06 6.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.139 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 9.7 p -123.28 -18.35 6.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.127 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 63.41 23.98 67.14 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.462 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.747 HD11 ' HB2' ' A' ' 32' ' ' SER . 17.3 tp -96.99 121.91 39.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.788 0.328 . . . . 0.0 110.923 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 73.4 mt -89.35 125.91 42.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.153 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.523 HG22 ' HA ' ' A' ' 32' ' ' SER . 31.3 p -131.14 166.65 20.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.164 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.451 ' O ' HG13 ' A' ' 29' ' ' VAL . 91.8 t -78.2 126.08 38.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.118 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 6.4 tt0 -96.13 -40.45 9.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.915 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.4 ' CB ' HH11 ' A' ' 78' ' ' ARG . 5.3 mtm105 -143.28 166.26 25.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.435 ' O ' HD22 ' A' ' 64' ' ' LEU . 48.8 p -50.47 151.31 2.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.88 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.8 mt -110.23 149.79 29.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.936 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -122.98 137.13 55.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.874 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 84' ' ' GLU . 51.1 ttp85 -100.22 -42.75 6.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.893 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -39.01 -28.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.865 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.452 ' N ' ' O ' ' A' ' 82' ' ' ARG . 6.2 tp10 -96.02 -60.02 1.72 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.856 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.545 HG21 ' CE1' ' A' ' 88' ' ' HIS . 13.3 t -136.6 130.68 32.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.168 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -99.59 -9.82 22.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.091 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 86.9 mt -130.77 140.09 49.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.107 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.545 ' CE1' HG21 ' A' ' 85' ' ' THR . 74.0 m-70 -126.51 133.18 51.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.861 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.9 mmtp -117.14 123.17 46.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.474 HG22 HG21 ' A' ' 61' ' ' THR . 44.1 t -134.65 137.81 50.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 16.8 m -118.42 137.25 53.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.147 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.51 HG21 HD12 ' A' ' 36' ' ' LEU . 87.2 t -112.67 146.75 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.104 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.46 HD12 HD11 ' A' ' 52' ' ' ILE . 76.4 mt -115.3 120.58 40.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.473 ' HB2' ' CZ ' ' A' ' 14' ' ' PHE . . . -103.36 135.17 45.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.063 179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 27.5 t -145.79 132.67 20.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.864 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -130.67 -36.21 1.42 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -178.42 29.58 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.52 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.5 m -116.05 -177.15 3.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.884 0.373 . . . . 0.0 110.873 -179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.3 m -74.39 -75.09 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.867 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.6 p -101.93 139.03 19.97 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.619 0.723 . . . . 0.0 111.141 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 169.81 18.06 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.687 2.258 . . . . 0.0 112.343 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -85.9 156.83 20.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.077 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 29.7 mtp180 -119.65 133.22 55.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -145.99 115.02 6.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.098 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 86.5 m -85.43 140.57 30.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.149 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.424 HG11 HG21 ' A' ' 34' ' ' ILE . 89.1 t -124.87 108.21 19.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.124 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 6.4 m -83.63 112.37 19.97 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.088 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 16.1 mt -108.84 111.01 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.099 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 52.9 m-20 -84.35 136.58 33.83 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.881 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 78.5 t -102.81 124.15 56.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 81.1 p -111.58 175.73 5.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.167 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.6 -177.02 6.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.872 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.781 HG21 ' HB2' ' A' ' 26' ' ' ASN . 0.8 OUTLIER -141.65 118.52 7.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.15 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.925 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.2 p -113.25 -40.04 4.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.875 0.369 . . . . 0.0 110.848 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.3 m -49.49 132.55 20.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.65 48.84 0.71 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.469 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.8 m -98.29 157.1 16.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.861 0.362 . . . . 0.0 110.887 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.6 m -89.05 160.89 16.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.838 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.0 77.04 2.16 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.517 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -129.15 42.49 3.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.856 0.36 . . . . 0.0 110.883 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -52.59 147.68 8.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.821 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -170.21 132.29 1.04 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -90.0 143.68 30.27 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.571 0.7 . . . . 0.0 110.911 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 141.47 45.58 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.745 2.297 . . . . 0.0 112.333 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -115.54 149.25 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.143 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.849 ' CE1' HD13 ' A' ' 36' ' ' LEU . 33.4 m-85 -97.56 137.01 37.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.6 ptmm? -58.6 -41.58 86.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -143.28 135.87 27.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -84.45 -98.82 0.64 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.507 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -76.29 115.88 16.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.856 0.36 . . . . 0.0 110.904 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 49.0 t -138.31 124.85 26.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.147 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -88.74 142.79 27.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.468 HG22 ' HA ' ' A' ' 108' ' ' ILE . 18.8 m -132.99 158.49 43.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.083 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.532 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 6.7 p-80 -121.44 117.35 26.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.879 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.469 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 10.6 tt -139.99 135.85 16.75 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.582 0.706 . . . . 0.0 111.132 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.473 ' HB2' ' CG1' ' A' ' 113' ' ' VAL . 54.0 Cg_endo -69.72 143.02 49.69 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.646 2.231 . . . . 0.0 112.345 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -60.01 -30.63 69.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -91.0 16.29 9.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -52.46 143.06 28.77 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.563 0.697 . . . . 0.0 111.12 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 133.25 25.15 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.674 2.249 . . . . 0.0 112.363 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 94.2 t -60.72 117.21 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.135 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 117.73 16.0 6.08 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.495 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 11.6 m -89.84 132.75 35.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.813 0.339 . . . . 0.0 111.165 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.832 ' HA ' HG22 ' A' ' 75' ' ' THR . 79.9 p -75.23 114.52 13.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.853 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 51.2 t -85.09 -62.64 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.159 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.5 HG21 HG11 ' A' ' 106' ' ' VAL . 17.2 tt -142.68 154.28 17.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.104 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -130.7 128.9 41.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.849 HD13 ' CE1' ' A' ' 14' ' ' PHE . 73.1 mt -107.42 139.31 42.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.511 ' CD2' HG23 ' A' ' 39' ' ' THR . 3.0 t-160 -127.34 118.78 24.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.849 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -122.95 95.82 4.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.126 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.511 HG23 ' CD2' ' A' ' 37' ' ' HIS . 70.7 p -91.98 116.03 28.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.144 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.01 -55.84 3.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -151.91 113.37 4.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.071 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 37.0 m-20 -92.64 -53.78 4.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.88 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.406 HG22 ' H ' ' A' ' 43' ' ' ILE . 1.9 tt -74.69 96.17 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.145 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 134.47 -96.67 0.28 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.452 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 49.4 m -111.39 168.01 9.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.889 0.376 . . . . 0.0 110.864 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 29.8 t30 -140.98 116.44 10.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.883 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -93.15 165.58 12.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.109 179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -102.71 91.08 4.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.931 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 58.9 mt -71.6 120.58 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.6 mmm-85 -97.86 139.04 34.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 67.1 m-85 -111.2 105.11 13.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.93 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 19.9 pt -104.36 177.28 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.181 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 57.2 m-85 -82.14 147.54 28.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.863 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -68.35 -167.64 4.43 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.469 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -99.86 152.51 20.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.778 0.323 . . . . 0.0 111.135 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 61.82 30.13 18.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.924 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.441 HG12 ' HE3' ' A' ' 62' ' ' LYS . 98.2 t -94.78 123.58 46.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.121 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.14 152.36 72.0 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.595 0.712 . . . . 0.0 111.085 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -50.75 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.682 2.255 . . . . 0.0 112.366 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -45.37 -34.64 3.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.141 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 97.0 m -71.66 -38.79 70.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.441 ' HE3' HG12 ' A' ' 57' ' ' VAL . 34.4 mttt -72.56 -31.21 65.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 47.0 mtp180 -76.13 -64.82 1.01 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.481 HD22 ' O ' ' A' ' 79' ' ' SER . 77.6 mt -41.57 -46.23 3.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 48.4 m-85 -95.54 175.23 6.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.426 ' HB2' ' HG3' ' A' ' 77' ' ' GLN . . . -139.78 112.61 8.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.071 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 50.7 tp -100.73 137.48 39.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.903 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -102.96 133.54 47.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.905 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -97.13 8.7 43.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.903 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 73.6 p -119.02 -26.72 5.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.131 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 21.0 p -122.46 -11.96 8.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.145 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 56.73 42.71 91.54 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.447 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.459 HD11 ' HB2' ' A' ' 32' ' ' SER . 11.9 tp -120.0 118.46 30.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.791 0.329 . . . . 0.0 110.934 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 73.0 mt -87.0 122.36 38.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.087 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.832 HG22 ' HA ' ' A' ' 32' ' ' SER . 39.7 p -133.28 156.28 47.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.136 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 96.4 t -59.2 134.37 24.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.093 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.426 ' HG3' ' HB2' ' A' ' 66' ' ' ALA . 4.7 tt0 -111.32 -26.98 8.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 54.6 mtp180 -159.88 160.72 33.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.481 ' O ' HD22 ' A' ' 64' ' ' LEU . 5.9 t -46.13 135.79 7.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.859 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.4 mt -92.66 155.42 17.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.914 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -126.96 114.44 17.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.884 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.481 ' HB3' ' CZ ' ' A' ' 82' ' ' ARG . 8.7 ttp-105 -78.98 -43.21 24.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -39.77 -44.19 1.54 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.9 tp10 -77.31 -56.57 4.44 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.656 HG21 ' CE1' ' A' ' 88' ' ' HIS . 11.8 t -139.39 124.05 18.43 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.132 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -91.12 -19.8 22.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.075 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 96.0 mt -124.61 116.65 48.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.114 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.656 ' CE1' HG21 ' A' ' 85' ' ' THR . 38.6 m-70 -100.93 112.86 25.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.859 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 41.3 mttp -102.89 105.0 15.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 59.2 t -113.33 132.48 62.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.159 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 61.4 m -114.57 127.5 55.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.13 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 13.2 t -104.57 144.96 13.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.104 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 66.4 mt -111.2 143.39 42.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -120.19 109.59 15.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.153 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.3 t -117.16 105.52 12.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -109.71 23.59 14.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 103.18 45.46 1.58 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 59.7 p -132.43 161.57 33.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 0.0 110.875 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 62.9 m -43.38 -59.81 1.97 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.675 HG23 ' HD2' ' A' ' 101' ' ' PRO . 96.1 m -131.39 138.99 34.0 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.591 0.71 . . . . 0.0 111.119 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.675 ' HD2' HG23 ' A' ' 100' ' ' THR . 54.3 Cg_endo -69.69 173.56 10.72 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.689 2.259 . . . . 0.0 112.372 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -84.4 167.11 16.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.088 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 42.0 mtt180 -126.37 127.32 45.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.858 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -136.67 118.07 14.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.095 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 63.8 m -91.34 136.61 32.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.136 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.5 HG11 HG21 ' A' ' 34' ' ' ILE . 90.3 t -130.16 101.18 5.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 21.0 m -78.17 127.34 32.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.104 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.468 ' HA ' HG22 ' A' ' 21' ' ' VAL . 25.2 mt -112.95 118.6 58.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.135 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 -96.46 116.16 28.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 75.0 t -84.31 120.27 34.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 62.6 p -104.89 162.87 12.96 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -77.72 170.31 16.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.473 ' CG1' ' HB2' ' A' ' 24' ' ' PRO . 5.1 m -132.91 116.45 26.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 9.1 m120 . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.868 179.996 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.3 m -143.9 163.21 34.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.906 0.384 . . . . 0.0 110.862 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -106.69 100.29 9.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.41 114.6 0.61 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.472 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.3 t -145.31 152.35 39.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.883 0.373 . . . . 0.0 110.85 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -142.26 153.64 44.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.909 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.26 48.09 0.69 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.486 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -57.56 -59.13 5.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.869 0.366 . . . . 0.0 110.867 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -85.46 116.65 23.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 35.0 m120 -94.2 -32.39 13.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.859 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.3 ptp85 -99.45 143.62 26.76 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.616 0.722 . . . . 0.0 110.844 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 153.28 69.26 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.692 2.262 . . . . 0.0 112.36 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.0 p -133.33 137.48 53.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.801 ' CD1' HD22 ' A' ' 36' ' ' LEU . 11.7 m-85 -83.08 133.12 35.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.1 ttmt -60.87 -42.31 97.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.851 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -139.25 130.76 27.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.846 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -95.43 -80.5 1.51 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.495 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 56.3 mt-30 -93.56 104.02 16.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.815 0.34 . . . . 0.0 110.889 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.519 HG12 ' N ' ' A' ' 20' ' ' GLU . 98.6 t -135.31 158.95 40.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.519 ' N ' HG12 ' A' ' 19' ' ' VAL . 1.4 mp0 -117.39 139.52 50.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 28.1 m -131.84 146.75 32.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.097 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 13.2 m80 -110.23 117.01 32.52 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.474 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 2.8 tt -143.45 136.54 13.87 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.659 0.743 . . . . 0.0 111.138 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.474 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.8 Cg_endo -69.74 148.58 65.54 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.697 2.264 . . . . 0.0 112.344 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -68.06 -19.73 64.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.882 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.917 ' HB3' HG11 ' A' ' 113' ' ' VAL . 14.1 t30 -92.7 -2.44 56.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.913 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 26' ' ' ASN . . . -35.17 143.83 0.23 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.559 0.695 . . . . 0.0 111.077 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 128.78 16.47 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.667 2.245 . . . . 0.0 112.34 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.4 t -56.88 131.93 20.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.11 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.74 9.86 36.66 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.495 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . 0.517 ' O ' HG22 ' A' ' 75' ' ' THR . 91.1 m -81.71 144.02 31.44 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.825 0.345 . . . . 0.0 111.132 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.613 ' HA ' HG22 ' A' ' 75' ' ' THR . 1.8 t -86.43 106.77 17.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.909 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 10.6 t -75.59 -68.09 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.108 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.456 HG13 ' N ' ' A' ' 35' ' ' GLN . 8.3 tp -133.54 149.75 31.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.456 ' N ' HG13 ' A' ' 34' ' ' ILE . 0.0 OUTLIER -124.37 120.12 31.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.801 HD22 ' CD1' ' A' ' 14' ' ' PHE . 18.6 mt -102.62 116.51 32.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.919 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -113.37 105.92 13.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -109.66 147.72 32.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.101 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 19.4 p -118.78 151.92 37.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.158 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.804 ' HB2' HD11 ' A' ' 49' ' ' ILE . 3.5 t70 -147.03 -178.23 6.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.537 ' HB1' HG13 ' A' ' 43' ' ' ILE . . . -38.83 98.47 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.101 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -46.52 -30.81 2.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.911 HD12 ' O ' ' A' ' 43' ' ' ILE . 2.6 pp -59.04 116.13 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.182 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -63.35 87.87 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.501 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 20.3 t -130.48 80.62 1.96 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.913 0.387 . . . . 0.0 110.885 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 39.06 43.65 0.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.846 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -101.6 118.71 37.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -136.85 106.99 6.34 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.804 HD11 ' HB2' ' A' ' 40' ' ' ASP . 70.6 mt -84.27 117.07 29.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.074 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.406 ' HD3' ' C ' ' A' ' 49' ' ' ILE . 0.4 OUTLIER -114.97 157.06 23.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.883 179.932 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 8.2 m-85 -118.55 137.18 53.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.444 HD11 HD12 ' A' ' 93' ' ' LEU . 2.8 pp -143.78 150.82 16.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.146 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.565 ' CZ ' ' HG2' ' A' ' 62' ' ' LYS . 63.2 m-85 -63.8 140.56 58.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.817 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -70.45 -157.44 2.1 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.479 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -95.08 159.99 14.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.733 0.302 . . . . 0.0 111.111 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 21.7 mp0 54.9 47.94 21.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.889 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 59.6 t -109.97 118.6 57.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -54.99 144.35 48.7 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.554 0.692 . . . . 0.0 111.091 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -49.36 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.649 2.232 . . . . 0.0 112.34 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -45.27 -47.75 12.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.119 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 54.2 m -54.16 -40.13 67.18 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.142 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.565 ' HG2' ' CZ ' ' A' ' 53' ' ' PHE . 16.1 mtmm -69.54 -22.88 63.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -78.11 -60.22 2.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.89 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.615 ' HB3' HD23 ' A' ' 80' ' ' LEU . 1.8 mm? -51.57 -53.19 40.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.562 ' CE1' HD22 ' A' ' 80' ' ' LEU . 36.8 m-85 -98.16 156.37 16.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.904 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.436 ' HB2' ' HB2' ' A' ' 77' ' ' GLN . . . -123.67 109.16 13.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.124 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.502 ' HB3' ' CE1' ' A' ' 53' ' ' PHE . 7.9 tp -92.85 110.8 22.26 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.881 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -66.92 118.85 10.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -82.6 17.07 1.9 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.866 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 33.4 m -121.72 -28.49 4.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.091 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 61.3 p -126.44 -25.64 3.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.154 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 84.56 17.64 63.62 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.5 tp -89.45 120.51 30.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.74 0.305 . . . . 0.0 110.935 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 75.9 mt -90.04 127.54 42.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.123 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.613 HG22 ' HA ' ' A' ' 32' ' ' SER . 15.2 p -137.86 145.05 41.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.187 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 71.9 t -61.57 115.03 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.139 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.436 ' HB2' ' HB2' ' A' ' 66' ' ' ALA . 9.4 tt0 -87.38 -42.93 12.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -140.57 153.71 46.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.847 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.549 ' O ' HD12 ' A' ' 64' ' ' LEU . 53.1 p -41.89 134.58 2.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.615 HD23 ' HB3' ' A' ' 64' ' ' LEU . 9.6 mt -87.15 159.33 18.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.872 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -133.19 113.84 13.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.465 ' HB3' ' CZ ' ' A' ' 82' ' ' ARG . 11.8 ttp-105 -75.84 -40.41 54.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -39.59 -29.16 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 82' ' ' ARG . 54.5 mm-40 -85.31 -62.14 1.6 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.726 HG21 ' CE1' ' A' ' 88' ' ' HIS . 13.2 t -139.06 137.36 36.18 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.149 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -85.44 -29.0 24.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.517 HG21 ' HE3' ' A' ' 89' ' ' LYS . 54.9 mt -122.8 147.83 26.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.133 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.726 ' CE1' HG21 ' A' ' 85' ' ' THR . 59.2 m-70 -127.47 120.9 29.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.833 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.517 ' HE3' HG21 ' A' ' 87' ' ' ILE . 0.6 OUTLIER -102.81 116.87 33.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 15.2 t -121.92 129.22 75.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.128 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 58.9 m -108.09 130.56 55.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.113 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 46.1 t -111.55 133.87 55.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.626 HD23 ' O ' ' A' ' 102' ' ' ALA . 80.5 mt -118.49 120.41 37.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -99.04 131.7 44.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 92.9 p -137.13 116.48 12.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.892 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -93.73 -51.56 4.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.857 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -160.28 -100.31 0.16 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.504 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.1 m -105.95 85.38 2.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.88 0.372 . . . . 0.0 110.845 -179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.4 t -174.05 158.18 3.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.865 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 39.1 m -66.65 130.33 94.07 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.624 0.725 . . . . 0.0 111.116 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 144.14 52.98 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.701 2.267 . . . . 0.0 112.314 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.626 ' O ' HD23 ' A' ' 93' ' ' LEU . . . -82.22 154.32 25.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.089 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.431 ' NH1' ' HB2' ' A' ' 103' ' ' ARG . 25.7 mtm105 -123.68 134.19 53.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.823 -179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -151.0 120.12 6.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.104 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 91.9 m -101.2 121.9 42.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.101 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 92.7 t -100.95 119.96 49.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.193 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 73.7 m -88.85 117.89 28.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.148 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 17.3 mt -109.97 110.1 30.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.155 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -85.38 129.82 34.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 72.3 t -94.97 120.48 44.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 30.5 p -107.08 149.67 27.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.128 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -66.88 159.28 28.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.917 HG11 ' HB3' ' A' ' 26' ' ' ASN . 16.9 m -113.5 -31.22 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.122 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 2.8 m120 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.996 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.6 t -105.92 -54.67 2.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.865 0.364 . . . . 0.0 110.839 -179.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.1 m -45.77 103.53 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.856 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.61 96.99 0.3 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.486 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.1 m -132.61 163.11 29.62 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.908 0.385 . . . . 0.0 110.85 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.5 p -165.37 150.53 9.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.848 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.27 -132.86 4.18 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.478 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -158.52 142.91 15.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.799 0.333 . . . . 0.0 110.945 -179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -170.43 161.92 8.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -108.75 -20.83 12.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.1 ptt-85 -132.01 143.77 50.4 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.579 0.704 . . . . 0.0 110.899 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 151.44 69.05 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.676 2.251 . . . . 0.0 112.337 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 37.1 t -122.64 141.12 44.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.145 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.629 ' CZ ' ' HB2' ' A' ' 94' ' ' ALA . 39.8 m-85 -88.37 166.43 14.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -62.87 -41.22 99.31 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -151.48 127.23 10.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -41.84 -45.77 4.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.47 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.524 ' N ' ' CD ' ' A' ' 18' ' ' GLN . 0.0 OUTLIER -143.94 137.91 28.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.862 0.363 . . . . 0.0 110.875 -179.882 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.7 t -122.92 140.98 44.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.097 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -108.86 110.26 21.56 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.932 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.484 HG21 ' CG1' ' A' ' 33' ' ' VAL . 34.0 m -105.05 157.95 5.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.148 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 21.6 m80 -124.63 103.29 8.05 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.473 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 7.0 tt -124.31 136.02 27.18 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.591 0.71 . . . . 0.0 111.1 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.473 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.1 Cg_endo -69.82 154.6 67.31 Favored 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.717 2.278 . . . . 0.0 112.33 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -68.36 -34.45 76.1 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.871 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.572 ' HB3' HG11 ' A' ' 113' ' ' VAL . 60.0 t30 -89.76 24.86 2.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.871 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -61.47 142.85 93.79 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.605 0.717 . . . . 0.0 111.077 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 135.73 31.19 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.691 2.261 . . . . 0.0 112.326 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.0 t -59.63 137.17 22.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.144 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 103.56 -9.54 52.78 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.512 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 19.0 m -67.65 134.26 50.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.821 0.343 . . . . 0.0 111.085 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.422 ' HA ' HG22 ' A' ' 75' ' ' THR . 3.9 m -84.84 106.5 16.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.484 ' CG1' HG21 ' A' ' 21' ' ' VAL . 67.4 t -68.45 -69.53 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.11 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.635 HG21 HG11 ' A' ' 106' ' ' VAL . 7.3 tt -139.16 140.81 37.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.122 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.483 ' HB2' HD23 ' A' ' 73' ' ' LEU . 37.7 tt0 -127.08 110.4 12.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.955 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.582 HD23 ' CD1' ' A' ' 14' ' ' PHE . 5.0 mp -71.93 140.42 49.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.939 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -113.13 108.89 17.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -132.87 106.77 7.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.149 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 71.8 p -104.01 157.35 17.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.146 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.562 ' HB2' HG23 ' A' ' 43' ' ' ILE . 2.6 p-10 -133.84 92.46 2.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.851 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.65 -65.17 1.04 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.08 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -87.55 -45.33 10.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.562 HG23 ' HB2' ' A' ' 40' ' ' ASP . 3.9 tp -51.16 110.8 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.126 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.425 ' O ' ' C ' ' A' ' 45' ' ' SER . . . 53.37 98.61 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.508 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 44' ' ' GLY . 62.4 m -35.84 -53.66 0.74 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.904 0.383 . . . . 0.0 110.882 -179.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -119.33 106.95 12.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.3 130.87 14.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.074 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -100.47 81.13 2.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . . . . . . . . . 12.4 mt -49.42 100.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.108 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 18.4 mtt180 -101.43 143.84 30.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.458 ' N ' ' CD1' ' A' ' 51' ' ' TYR . 0.5 OUTLIER -109.51 144.55 37.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.918 -179.851 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.493 HG22 ' ND2' ' A' ' 69' ' ' ASN . 29.5 pt -142.78 177.23 2.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.091 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -76.1 145.8 39.78 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.903 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -66.86 -159.84 0.92 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.454 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -103.23 151.65 22.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.754 0.312 . . . . 0.0 111.096 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 21.8 mm-40 55.67 41.47 30.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 99.3 t -95.95 127.54 47.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.107 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.51 147.04 83.93 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.598 0.713 . . . . 0.0 111.094 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 -40.89 4.8 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.698 2.266 . . . . 0.0 112.315 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -51.93 -45.91 64.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.077 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.445 HG21 HG22 ' A' ' 90' ' ' VAL . 49.3 m -59.58 -40.11 86.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.182 -179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.2 mtmp? -70.81 -17.1 62.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 56.6 mtt-85 -90.35 -26.48 19.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.996 HD23 ' HG2' ' A' ' 78' ' ' ARG . 33.6 mt -87.25 -37.25 17.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.928 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.454 ' CE1' HG21 ' A' ' 33' ' ' VAL . 66.2 m-85 -114.5 127.02 55.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -100.24 113.59 26.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.135 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.418 HD13 HG12 ' A' ' 74' ' ' ILE . 11.8 tp -103.8 142.0 35.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.95 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -98.11 149.07 22.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.914 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.493 ' ND2' HG22 ' A' ' 52' ' ' ILE . 1.3 m-20 -104.86 7.27 34.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 28.5 p -116.53 -26.72 6.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 16.9 p -117.32 -23.14 7.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.164 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 73.0 35.11 58.11 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.491 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.967 HD11 HG23 ' A' ' 75' ' ' THR . 0.3 OUTLIER -108.86 144.72 36.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.773 0.32 . . . . 0.0 110.924 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.936 ' H ' HD22 ' A' ' 73' ' ' LEU . 68.5 mt -115.3 110.13 30.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.151 179.812 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.967 HG23 HD11 ' A' ' 73' ' ' LEU . 3.0 p -104.56 -178.9 3.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.102 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 84.5 t -94.06 104.5 15.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.1 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.49 ' N ' ' O ' ' A' ' 64' ' ' LEU . 23.4 tt0 -65.01 -43.47 92.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.927 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.996 ' HG2' HD23 ' A' ' 64' ' ' LEU . 6.3 ptt180 -156.22 168.83 26.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 22.7 t -51.74 138.4 23.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.514 HD23 HD22 ' A' ' 64' ' ' LEU . 7.5 mt -101.06 130.82 47.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -99.11 124.67 44.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.9 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 39.6 ttp85 -82.27 -24.07 34.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 59.2 mm-40 -64.05 -11.69 31.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -117.53 -54.04 2.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.9 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.63 HG23 ' O ' ' A' ' 85' ' ' THR . 7.4 t -131.49 92.04 3.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.167 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.46 -28.82 69.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.171 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 44.9 mt -131.58 143.7 39.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.114 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.472 ' NE2' HG21 ' A' ' 85' ' ' THR . 24.1 m-70 -117.38 140.18 49.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.869 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -124.04 105.0 9.22 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.445 HG22 HG21 ' A' ' 61' ' ' THR . 44.9 t -118.17 119.25 60.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.146 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 26.1 m -94.69 118.45 31.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.133 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 94.6 t -99.48 136.16 31.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.143 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 34.1 mt -115.14 130.98 57.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.629 ' HB2' ' CZ ' ' A' ' 14' ' ' PHE . . . -113.32 108.65 17.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.121 179.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.0 t -104.06 120.67 41.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.95 -57.01 2.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.85 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 157.24 150.05 5.59 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.496 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.7 t 41.93 28.92 0.1 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.873 0.368 . . . . 0.0 110.829 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 2.5 t -159.57 151.02 19.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.838 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 41.5 p -69.2 142.78 93.12 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.6 0.714 . . . . 0.0 111.163 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 157.19 61.22 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.662 2.241 . . . . 0.0 112.344 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -87.97 172.73 9.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.103 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 36.8 mtm-85 -123.5 117.84 26.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.897 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -119.85 122.05 40.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.054 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 86.3 m -100.24 115.61 30.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.161 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.635 HG11 HG21 ' A' ' 34' ' ' ILE . 71.4 t -102.31 117.2 47.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.139 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 61.3 m -98.5 106.41 18.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.172 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 48.1 mt -102.2 107.43 21.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.106 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -89.57 134.16 34.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 70.5 t -97.06 104.63 16.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.064 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 21.0 p -94.3 159.91 14.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.082 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -65.24 168.42 6.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.572 HG11 ' HB3' ' A' ' 26' ' ' ASN . 11.5 m -122.8 -33.82 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.15 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 22.5 t30 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.914 -179.981 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.5 t -89.69 86.21 6.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.883 0.373 . . . . 0.0 110.85 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.2 p -110.93 172.05 7.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.849 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.8 75.16 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.495 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.7 p -46.18 166.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.874 0.368 . . . . 0.0 110.855 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.8 p -170.98 133.41 0.9 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.857 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -96.8 -175.12 35.17 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.473 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -89.56 -51.4 5.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.878 0.371 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -105.96 125.5 51.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -103.36 90.48 3.72 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.919 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -142.91 143.26 24.58 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.601 0.715 . . . . 0.0 110.878 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 86.21 0.59 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.692 2.261 . . . . 0.0 112.355 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.4 m -72.97 139.72 19.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.715 ' CD1' HD12 ' A' ' 36' ' ' LEU . 29.9 m-85 -95.51 150.29 20.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 8.9 tppt? -40.56 -56.88 1.98 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -143.06 169.58 17.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.4 ' C ' ' OE1' ' A' ' 18' ' ' GLN . . . -76.78 -73.11 1.05 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.486 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.4 ' OE1' ' C ' ' A' ' 17' ' ' GLY . 4.1 mp0 -120.03 126.34 50.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.82 0.343 . . . . 0.0 110.876 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 41.6 t -128.02 113.71 31.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.102 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -86.49 133.04 33.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.9 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 18.8 m -127.39 154.74 38.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.129 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.536 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 20.5 p-80 -119.65 115.55 24.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.85 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.467 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 1.8 tt -133.5 137.28 28.61 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.588 0.709 . . . . 0.0 111.141 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.467 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.6 Cg_endo -69.81 150.88 68.49 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.681 2.254 . . . . 0.0 112.349 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -64.26 -39.53 94.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.534 ' HB3' HG11 ' A' ' 113' ' ' VAL . 43.6 t30 -85.51 20.92 1.92 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -50.56 142.69 15.24 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.601 0.715 . . . . 0.0 111.138 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.73 135.8 31.45 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.675 2.25 . . . . 0.0 112.336 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.436 HG13 ' O ' ' A' ' 76' ' ' VAL . 72.1 t -60.42 122.54 11.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.158 179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 111.32 16.02 9.97 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.458 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 16.4 m -90.8 112.6 24.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.82 0.343 . . . . 0.0 111.114 -179.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.626 ' HA ' HG22 ' A' ' 75' ' ' THR . 73.2 m -65.55 107.95 1.87 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.865 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 54.8 t -77.91 -60.02 2.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 tp -141.27 143.7 27.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -124.41 100.58 6.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.715 HD12 ' CD1' ' A' ' 14' ' ' PHE . 3.5 mm? -71.06 112.95 7.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.867 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -111.2 106.02 14.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.901 179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -114.32 98.51 6.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.13 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 61.8 p -127.5 135.73 50.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.139 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -90.04 -52.89 4.73 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.874 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.42 ' O ' HG23 ' A' ' 43' ' ' ILE . . . -128.69 45.84 2.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.9 t0 38.54 37.62 0.19 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.888 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.42 HG23 ' O ' ' A' ' 41' ' ' ALA . 1.9 pt -102.85 101.51 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.169 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 45' ' ' SER . . . -84.62 -41.69 7.66 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.496 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 44' ' ' GLY . 32.7 p -34.85 -58.76 0.5 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.916 0.388 . . . . 0.0 110.825 -179.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.455 ' O ' ' HB3' ' A' ' 47' ' ' ALA . 8.3 p30 -121.65 -175.87 3.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.849 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 46' ' ' ASN . . . 69.82 26.95 4.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.053 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -58.43 84.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.501 HG21 ' HB1' ' A' ' 94' ' ' ALA . 55.7 mt -60.42 139.93 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.101 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.7 tpt180 -98.94 141.15 32.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -116.59 130.01 56.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.954 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 12.5 pt -130.61 168.54 23.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.135 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.497 ' CZ ' ' HB3' ' A' ' 67' ' ' LEU . 50.0 m-85 -78.73 140.4 38.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.867 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -64.35 -170.72 2.17 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.46 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.72 157.13 16.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.767 0.318 . . . . 0.0 111.121 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 63.8 33.7 12.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.2 t -103.67 115.5 45.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.123 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.489 ' HB1' ' HD2' ' A' ' 59' ' ' PRO . . . -51.9 157.35 2.1 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.599 0.714 . . . . 0.0 111.141 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.489 ' HD2' ' HB1' ' A' ' 58' ' ' ALA . 53.8 Cg_endo -69.75 -44.38 2.12 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.696 2.264 . . . . 0.0 112.345 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.487 ' O ' ' N ' ' A' ' 63' ' ' ARG . . . -48.03 -66.23 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.089 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 94.8 m -41.07 -25.29 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.161 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.435 ' N ' ' O ' ' A' ' 60' ' ' ALA . 5.5 mtmp? -92.82 -33.63 14.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.487 ' N ' ' O ' ' A' ' 60' ' ' ALA . 17.6 ptt85 -69.95 -30.71 68.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.517 HD13 HD23 ' A' ' 80' ' ' LEU . 89.7 mt -83.7 -50.88 7.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.946 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -99.99 134.08 43.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -107.89 128.98 55.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.06 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.497 ' HB3' ' CZ ' ' A' ' 53' ' ' PHE . 7.9 tp -112.53 136.81 51.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.946 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 24.3 m-20 -96.05 129.48 43.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.891 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -85.83 3.19 42.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.873 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 32.3 p -113.77 -28.43 7.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 41.8 p -117.64 -20.44 8.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.104 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 63.68 52.06 48.89 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.462 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 21.1 tp -126.45 141.73 51.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.75 0.31 . . . . 0.0 110.91 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 95.6 mt -113.7 121.26 65.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.115 179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.626 HG22 ' HA ' ' A' ' 32' ' ' SER . 34.4 p -126.24 169.23 13.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.188 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.436 ' O ' HG13 ' A' ' 29' ' ' VAL . 88.8 t -80.46 107.74 13.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.153 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 15.7 tt0 -78.76 -40.15 34.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 65.8 mtp180 -146.39 171.03 15.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.462 ' O ' HD22 ' A' ' 64' ' ' LEU . 3.4 t -57.58 156.32 8.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.517 HD23 HD13 ' A' ' 64' ' ' LEU . 6.7 mt -116.0 155.62 27.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.939 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -134.11 134.07 41.83 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 16.3 mtp180 -83.81 -34.56 24.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -47.4 -24.35 0.78 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -101.2 -58.84 1.81 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.661 HG21 ' CE1' ' A' ' 88' ' ' HIS . 11.5 t -136.12 126.28 26.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.123 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -91.57 -34.68 14.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 179.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 31.9 mt -117.07 136.32 54.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.095 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.661 ' CE1' HG21 ' A' ' 85' ' ' THR . 60.9 m-70 -112.62 123.52 50.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.851 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -112.16 107.71 16.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 22.3 t -117.02 131.31 70.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 19.6 m -114.16 121.19 43.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.1 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 85.6 t -99.81 133.34 43.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 10.8 mt -114.17 138.38 50.52 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.934 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.501 ' HB1' HG21 ' A' ' 49' ' ' ILE . . . -129.99 125.3 35.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.085 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.6 t -135.31 135.3 40.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.904 -179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -124.3 -41.93 2.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.866 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -177.08 34.89 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.445 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 89.6 p -115.02 166.97 11.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.859 0.361 . . . . 0.0 110.881 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 53.0 p -72.53 -45.78 57.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 51.7 m -116.47 121.99 32.51 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.559 0.695 . . . . 0.0 111.161 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 165.6 30.43 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.647 2.232 . . . . 0.0 112.359 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -94.05 138.98 31.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.122 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 28.5 ptt180 -114.66 137.3 52.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -132.67 115.66 15.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 17.0 m -90.04 125.39 35.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.153 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 98.5 t -119.91 101.02 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.173 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 87.9 m -72.25 130.69 41.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.137 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 30.5 mt -125.67 106.72 16.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.102 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -88.6 124.92 34.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.918 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 47.6 t -91.25 122.6 42.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.126 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 28.3 p -109.73 163.37 13.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.143 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -70.45 -177.25 1.42 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.855 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.534 HG11 ' HB3' ' A' ' 26' ' ' ASN . 0.9 OUTLIER -131.92 116.48 30.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.147 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.901 -179.995 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t 71.43 41.86 0.72 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.9 0.381 . . . . 0.0 110.863 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.9 m -103.66 141.27 36.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.862 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 51.82 86.58 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.474 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.4 m -99.35 102.11 13.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.898 0.38 . . . . 0.0 110.848 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.0 t -54.83 96.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.821 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 8' ' ' ASN . . . 67.6 -107.71 2.15 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.502 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.436 ' C ' ' O ' ' A' ' 7' ' ' GLY . 32.2 t30 35.04 40.54 0.05 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.82 0.343 . . . . 0.0 110.888 -179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -108.57 43.82 1.2 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.811 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -95.29 82.67 3.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.874 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 4.8 ptt180 -71.88 148.35 92.06 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.601 0.715 . . . . 0.0 110.913 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 152.14 69.25 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.676 2.251 . . . . 0.0 112.343 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 45.8 t -134.15 116.61 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.103 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -65.56 157.8 28.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.889 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.404 ' C ' ' HG2' ' A' ' 16' ' ' GLU . 12.8 tptm -43.88 -55.53 4.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.893 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.404 ' HG2' ' C ' ' A' ' 15' ' ' LYS . 48.8 mm-40 -149.13 143.12 25.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.915 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -49.42 -94.8 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.514 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -87.37 126.61 34.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.854 0.359 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 43.4 t -136.4 125.01 36.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.122 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -96.41 138.09 34.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 31.1 m -124.32 165.47 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.098 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 11.4 m80 -122.66 131.29 53.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.865 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.531 HD12 HG22 ' A' ' 33' ' ' VAL . 11.4 tt -151.84 136.0 9.94 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.658 0.742 . . . . 0.0 111.147 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.674 ' HB2' HG23 ' A' ' 113' ' ' VAL . 54.0 Cg_endo -69.74 154.17 68.14 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.658 2.239 . . . . 0.0 112.345 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -69.61 -36.26 76.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.572 ' HB2' HG21 ' A' ' 113' ' ' VAL . 68.1 m-80 -97.39 46.05 1.03 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.403 ' HB2' ' HG2' ' A' ' 24' ' ' PRO . . . -74.98 143.77 78.29 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.587 0.708 . . . . 0.0 111.083 179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 130.72 19.8 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.657 2.238 . . . . 0.0 112.31 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 93.0 t -53.36 111.2 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 122.81 12.59 4.9 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.487 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.4 m -85.62 136.14 33.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.824 0.345 . . . . 0.0 111.125 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.462 ' HA ' HG22 ' A' ' 75' ' ' THR . 64.8 p -75.9 107.07 7.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.881 -179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.531 HG22 HD12 ' A' ' 23' ' ' ILE . 61.6 t -74.97 -62.34 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.141 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.544 HD13 ' N ' ' A' ' 35' ' ' GLN . 0.0 OUTLIER -145.1 146.21 20.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.145 179.927 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.544 ' N ' HD13 ' A' ' 34' ' ' ILE . 5.9 tp60 -129.01 118.79 23.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.918 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.429 ' HG ' HD11 ' A' ' 34' ' ' ILE . 16.9 mt -97.24 117.76 32.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -92.58 105.31 17.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -125.23 89.41 3.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.131 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 36.5 p -118.71 113.15 20.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.143 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.425 ' O ' ' CG ' ' A' ' 40' ' ' ASP . 0.8 OUTLIER -113.84 81.96 1.61 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.814 179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 40' ' ' ASP . . . 67.3 50.63 0.95 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.059 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -81.35 47.35 1.03 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.846 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.2 pt -85.62 106.28 15.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.07 -68.28 3.12 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.465 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.5 m -57.84 149.9 21.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.891 0.377 . . . . 0.0 110.828 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 24.1 m120 -70.63 -75.07 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.918 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 49' ' ' ILE . . . 61.45 26.25 16.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.101 179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.25 86.3 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.837 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.575 HG21 ' HB1' ' A' ' 94' ' ' ALA . 29.0 mt -50.6 126.56 5.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.164 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.0 mmm180 -83.8 115.51 22.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 49.6 m-85 -89.39 111.21 22.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.944 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 28.2 pt -106.84 156.42 7.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.113 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -69.32 142.48 54.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -58.2 -164.4 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.487 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.54 158.1 16.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.754 0.311 . . . . 0.0 111.101 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 18.3 mm-40 52.14 53.17 12.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.945 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 61.8 t -114.54 129.17 71.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -56.51 150.74 33.01 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.541 0.686 . . . . 0.0 111.114 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -43.49 2.6 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.702 2.268 . . . . 0.0 112.344 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -48.34 -44.24 34.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.063 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.443 HG21 HG22 ' A' ' 90' ' ' VAL . 49.3 m -58.23 -40.07 80.72 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.167 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.39 -40.08 81.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 18.1 mtp85 -69.36 -63.87 0.98 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.85 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 14.5 mt -51.94 -49.08 63.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.921 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.544 ' CZ ' HD22 ' A' ' 80' ' ' LEU . 84.6 m-85 -104.07 123.29 46.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.846 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -98.8 127.9 44.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.114 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 24.7 tp -110.36 123.79 50.49 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.916 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 68.9 m-20 -87.93 144.29 26.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -101.54 -6.87 23.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 74.0 p -105.12 -25.16 12.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.194 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 73.8 p -116.23 -22.39 8.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.117 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 63.1 37.26 94.63 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.499 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.458 HD12 ' O ' ' A' ' 34' ' ' ILE . 30.3 tp -119.9 130.31 54.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.792 0.329 . . . . 0.0 110.919 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 87.4 mt -96.41 123.52 48.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.462 HG22 ' HA ' ' A' ' 32' ' ' SER . 65.5 p -126.23 165.72 18.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.143 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 51.6 t -81.58 110.46 16.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -81.81 -34.13 30.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 64.4 mtp180 -143.72 160.85 39.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.9 t -51.29 141.98 13.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 -179.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.544 HD22 ' CZ ' ' A' ' 65' ' ' PHE . 10.8 mt -94.65 152.88 18.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.939 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -129.22 124.56 34.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 27.8 mtm180 -81.81 -39.97 23.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -41.92 -44.26 3.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -76.44 -62.59 1.57 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.599 HG21 ' CE1' ' A' ' 88' ' ' HIS . 5.3 t -139.97 138.1 35.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.145 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.752 ' O ' HG23 ' A' ' 110' ' ' VAL . . . -95.71 -41.79 8.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.11 179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 6.9 mm -105.62 141.02 21.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.12 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.599 ' CE1' HG21 ' A' ' 85' ' ' THR . 52.8 m-70 -125.11 115.31 20.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.862 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.501 ' HD2' HG23 ' A' ' 107' ' ' THR . 0.0 OUTLIER -100.15 109.93 22.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.897 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.443 HG22 HG21 ' A' ' 61' ' ' THR . 87.3 t -115.76 123.66 71.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.095 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 17.2 m -100.63 128.78 46.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.142 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 60.6 t -108.4 138.19 36.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.129 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 18.0 mt -119.61 116.41 25.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.575 ' HB1' HG21 ' A' ' 49' ' ' ILE . . . -103.17 126.21 50.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.8 t -132.7 134.27 44.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -128.96 58.5 1.59 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 67.16 50.94 41.98 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.491 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.3 m -150.66 -175.35 5.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.839 0.352 . . . . 0.0 110.844 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 100' ' ' THR . 5.9 t -61.23 -174.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.891 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.432 ' C ' ' O ' ' A' ' 99' ' ' SER . 19.5 m -34.03 128.85 0.44 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.608 0.718 . . . . 0.0 111.158 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 169.3 19.2 Favored 'Trans proline' 0 N--CA 1.465 -0.171 0 C-N-CA 122.686 2.258 . . . . 0.0 112.413 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -69.39 175.05 4.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.127 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 79.3 mtm-85 -137.66 135.58 36.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -147.52 119.43 8.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.118 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 78.2 m -91.75 117.55 29.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.147 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 73.5 t -101.04 114.35 39.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . 0.501 HG23 ' HD2' ' A' ' 89' ' ' LYS . 3.5 m -90.17 119.73 30.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.154 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 23.5 mt -107.91 110.04 30.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.131 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -95.15 117.62 30.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.907 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.752 HG23 ' O ' ' A' ' 86' ' ' ALA . 20.3 t -85.33 127.78 39.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.103 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 3.6 p -124.96 174.51 7.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.114 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -51.66 153.0 2.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.674 HG23 ' HB2' ' A' ' 24' ' ' PRO . 5.9 p -101.13 -27.22 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.943 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 m -163.6 175.88 10.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.908 0.385 . . . . 0.0 110.835 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.4 p -117.72 -60.29 1.83 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.17 76.33 0.18 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.423 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.5 m 45.81 42.55 8.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.876 0.369 . . . . 0.0 110.876 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.2 m -86.49 155.45 20.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.836 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.77 -121.76 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.483 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 64.1 m-80 -108.09 178.15 4.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.879 0.371 . . . . 0.0 110.864 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -54.82 146.76 16.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.839 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -144.25 120.83 11.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.96 152.42 47.57 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.574 0.702 . . . . 0.0 110.865 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 154.16 68.01 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.699 2.266 . . . . 0.0 112.287 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.4 p -129.15 133.14 66.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.134 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.543 ' CD1' HD22 ' A' ' 36' ' ' LEU . 8.7 m-85 -78.77 153.11 31.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.867 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.2 tttp -41.28 -50.72 3.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.964 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -146.9 160.46 42.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.01 -61.29 5.0 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.511 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 30.6 tt0 -105.86 143.36 34.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.87 0.367 . . . . 0.0 110.87 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 84.1 t -132.97 135.39 57.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.153 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.9 tt0 -122.97 133.78 54.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 4.2 m -134.72 150.09 30.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.113 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.554 ' CD2' ' O ' ' A' ' 22' ' ' HIS . 2.4 p-80 -114.71 124.68 52.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.89 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 4.0 tt -148.53 132.22 8.43 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.666 0.746 . . . . 0.0 111.084 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.471 ' HB2' ' CG1' ' A' ' 113' ' ' VAL . 54.0 Cg_endo -69.69 154.84 67.53 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -69.32 -38.31 78.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.715 ' HB2' HG21 ' A' ' 113' ' ' VAL . 16.5 m-20 -85.42 29.81 0.66 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.6 143.72 95.46 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.554 0.692 . . . . 0.0 111.121 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 142.87 49.12 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.683 2.256 . . . . 0.0 112.316 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 40.5 t -63.55 131.26 29.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.075 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 99.45 15.8 31.26 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.446 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 81.1 m -82.86 126.91 32.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.814 0.34 . . . . 0.0 111.15 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.724 ' HA ' HG22 ' A' ' 75' ' ' THR . 7.6 p -70.43 109.18 4.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.839 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 40.8 t -79.99 -72.6 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.137 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.619 ' O ' HD12 ' A' ' 73' ' ' LEU . 10.5 tp -142.62 146.78 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.148 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.591 ' HB2' HD13 ' A' ' 73' ' ' LEU . 24.1 tt0 -123.48 103.74 8.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.543 HD22 ' CD1' ' A' ' 14' ' ' PHE . 13.6 mt -72.17 145.28 48.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -139.21 116.01 10.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.826 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -118.98 126.97 52.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.0 p -126.73 114.47 18.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.187 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -128.71 136.77 51.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.887 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . 41.48 54.95 3.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.074 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -78.63 47.9 0.76 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 3.6 pt -101.55 91.22 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 118.33 -103.78 1.06 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.489 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.5 t -96.64 151.48 19.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.887 0.375 . . . . 0.0 110.869 -179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -80.75 112.28 17.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.47 147.11 52.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.03 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 70.4 mm-40 -93.68 87.89 5.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.774 HG23 ' O ' ' A' ' 95' ' ' SER . 67.3 mt -80.0 117.13 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.153 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.484 ' CD ' ' O ' ' A' ' 69' ' ' ASN . 0.0 OUTLIER -78.27 162.55 26.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.846 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -136.8 110.5 8.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 -179.842 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 22.8 pt -112.7 169.75 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.095 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.54 ' CZ ' ' HG2' ' A' ' 62' ' ' LYS . 31.4 m-85 -74.26 135.1 42.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -64.25 -152.05 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.499 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -105.58 158.89 16.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.697 0.284 . . . . 0.0 111.137 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 56.59 47.87 17.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.903 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 96.2 t -107.89 121.72 61.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.078 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.82 152.07 50.49 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.562 0.696 . . . . 0.0 111.124 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -40.9 4.74 Favored 'Trans proline' 0 N--CA 1.466 -0.14 0 C-N-CA 122.72 2.28 . . . . 0.0 112.321 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.26 -57.47 12.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.081 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.538 HG21 HG22 ' A' ' 90' ' ' VAL . 85.5 m -48.11 -35.08 10.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.082 -179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.54 ' HG2' ' CZ ' ' A' ' 53' ' ' PHE . 35.3 mtmt -73.21 -27.21 61.49 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.908 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.427 ' O ' ' NE2' ' A' ' 77' ' ' GLN . 26.4 mtt180 -84.79 -54.42 4.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 16.7 mt -57.44 -46.32 83.7 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -107.7 126.42 52.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -96.83 136.26 37.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.139 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 6.3 tp -113.35 141.62 46.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.928 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -103.08 123.25 46.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.484 ' O ' ' CD ' ' A' ' 50' ' ' ARG . 0.7 OUTLIER -84.95 5.11 30.49 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 73.1 p -116.84 -26.24 7.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.143 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 46.4 p -120.92 -15.92 8.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.107 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 62.19 38.29 95.92 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.473 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.619 HD12 ' O ' ' A' ' 34' ' ' ILE . 33.6 tp -111.96 149.06 32.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.805 0.336 . . . . 0.0 110.908 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 66.9 mt -121.47 122.12 66.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.113 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . 0.724 HG22 ' HA ' ' A' ' 32' ' ' SER . 34.8 p -128.85 162.03 28.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.122 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 91.1 t -71.35 131.09 34.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.146 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.427 ' NE2' ' O ' ' A' ' 63' ' ' ARG . 5.9 tt0 -107.34 -35.76 6.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.917 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 79' ' ' SER . 47.4 mtp180 -147.63 152.24 37.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 78' ' ' ARG . 20.2 p -37.82 148.82 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.893 -179.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.4 mt -105.84 152.88 22.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.935 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -121.14 118.27 29.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.865 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 4.9 tmm_? -79.75 -46.74 16.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.832 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -41.27 -49.39 3.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.861 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -65.5 -59.87 3.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.862 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.527 HG21 ' NE2' ' A' ' 88' ' ' HIS . 8.9 t -133.46 144.59 49.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.139 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -104.95 -24.2 12.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.048 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 69.6 mt -134.53 134.22 54.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.139 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.527 ' NE2' HG21 ' A' ' 85' ' ' THR . 23.0 m-70 -113.36 113.96 25.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.2 mtpm? -102.83 107.79 18.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.538 HG22 HG21 ' A' ' 61' ' ' THR . 15.2 t -114.17 142.28 27.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.138 179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 52.1 m -121.27 121.26 37.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 42.2 t -108.12 140.24 27.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.152 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 55.4 mt -105.29 140.06 38.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.919 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.424 ' HB2' ' CZ ' ' A' ' 14' ' ' PHE . . . -118.77 136.36 54.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.774 ' O ' HG23 ' A' ' 49' ' ' ILE . 32.2 t -139.27 142.34 37.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.823 -179.746 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -134.73 -35.64 0.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.838 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 164.92 34.62 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.503 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.3 t -115.72 -177.88 3.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.874 0.369 . . . . 0.0 110.847 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.0 m -70.84 -71.62 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.838 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.45 HG23 ' HD2' ' A' ' 101' ' ' PRO . 92.5 m -100.16 134.01 21.12 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.582 0.706 . . . . 0.0 111.112 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . 0.45 ' HD2' HG23 ' A' ' 100' ' ' THR . 54.2 Cg_endo -69.75 165.14 31.95 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.689 2.259 . . . . 0.0 112.347 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -96.33 128.93 43.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.111 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 3.6 ptp85 -107.69 150.2 27.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -146.27 119.75 9.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.094 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 28.3 m -83.46 117.29 22.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.097 -179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 90.9 t -106.08 142.98 17.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.128 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 61.2 m -117.87 130.0 55.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.194 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 28.6 mt -117.44 117.27 54.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.161 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -90.91 133.95 34.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.887 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 79.3 t -102.25 99.98 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.177 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 68.1 p -85.24 160.85 19.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.127 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -76.87 170.24 16.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.873 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.715 HG21 ' HB2' ' A' ' 26' ' ' ASN . 32.8 m -139.46 121.81 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.118 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 9.2 p30 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.922 179.937 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.456 -0.258 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -166.66 155.96 11.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.896 0.379 . . . . 0.0 110.841 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t -173.94 127.05 0.37 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.893 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.18 147.04 18.76 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.494 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 54.6 p -164.2 165.17 22.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.892 0.377 . . . . 0.0 110.821 -179.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.7 t -117.29 162.53 17.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 -179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.06 148.57 19.33 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.497 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -152.2 159.85 43.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 0.0 110.844 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -53.1 119.55 4.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.842 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 32.8 m-80 -158.83 142.07 14.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -88.17 156.33 51.67 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.574 0.702 . . . . 0.0 110.9 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 95.49 0.56 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.667 2.245 . . . . 0.0 112.315 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.4 m -103.13 168.26 2.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.136 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.672 ' CE1' ' HB2' ' A' ' 104' ' ' ALA . 96.1 m-85 -97.99 151.2 20.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.868 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.0 ttmm -61.16 -38.95 88.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.454 ' HG3' ' CG2' ' A' ' 19' ' ' VAL . 6.2 pt-20 -127.16 -27.67 2.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.86 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 78.6 -63.44 3.72 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.475 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -103.42 138.71 39.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.861 0.362 . . . . 0.0 110.886 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.454 ' CG2' ' HG3' ' A' ' 16' ' ' GLU . 17.9 t -151.64 135.32 8.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.146 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -109.95 115.04 29.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 14.0 m -112.22 163.44 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.13 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 24.9 p-80 -134.4 108.29 8.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.826 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.471 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 2.3 tt -126.23 137.13 29.62 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.593 0.711 . . . . 0.0 111.117 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.471 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.7 Cg_endo -69.8 170.48 16.53 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.672 2.248 . . . . 0.0 112.377 179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -84.74 -28.6 26.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.905 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.432 ' HB3' HG11 ' A' ' 113' ' ' VAL . 64.8 t30 -79.66 -10.35 59.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -37.13 139.12 0.52 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.572 0.701 . . . . 0.0 111.078 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 141.66 45.67 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.684 2.256 . . . . 0.0 112.306 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.478 HG13 ' O ' ' A' ' 76' ' ' VAL . 25.1 t -64.53 121.11 12.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.185 179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 112.97 11.03 14.66 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.478 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 15.6 m -82.21 142.38 32.21 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.774 0.321 . . . . 0.0 111.174 -179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 52.4 p -81.81 115.41 21.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.828 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 18.2 t -85.53 -62.11 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.171 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.47 HG21 HG11 ' A' ' 106' ' ' VAL . 19.0 tt -142.75 154.13 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.162 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -132.14 106.21 7.84 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.932 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 14.7 mt -93.55 134.44 35.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -113.58 134.96 54.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.874 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.63 ' O ' HD12 ' A' ' 49' ' ' ILE . . . -126.3 95.2 4.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.122 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.2 p -98.92 117.75 34.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.151 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -128.23 156.82 42.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -48.53 111.64 0.49 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.161 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.8 p30 -94.95 12.59 27.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.89 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 3.1 tt -54.37 107.54 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 134.35 -67.78 0.55 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.515 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 38.6 t -161.58 159.78 28.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.876 0.369 . . . . 0.0 110.886 -179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -39.81 158.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -146.66 111.18 5.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.103 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -96.01 95.92 8.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.63 HD12 ' O ' ' A' ' 38' ' ' ALA . 26.3 mt -68.66 106.09 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.119 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.476 ' N ' ' HD2' ' A' ' 50' ' ' ARG . 0.3 OUTLIER -90.25 118.82 30.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.88 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.495 ' CE1' ' C ' ' A' ' 71' ' ' THR . 23.4 m-85 -88.21 153.29 21.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 -179.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.402 ' N ' HD13 ' A' ' 52' ' ' ILE . 0.1 OUTLIER -145.21 175.0 2.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.146 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -83.35 146.31 28.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.913 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . -54.79 -168.34 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.475 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -94.59 136.61 34.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.748 0.309 . . . . 0.0 111.073 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 56.73 51.16 11.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.931 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.44 HG12 ' HD2' ' A' ' 62' ' ' LYS . 92.0 t -96.93 128.37 48.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.471 ' O ' ' CD ' ' A' ' 62' ' ' LYS . . . -51.35 145.52 13.93 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.526 0.679 . . . . 0.0 111.086 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.412 ' HA ' ' HD3' ' A' ' 62' ' ' LYS . 53.3 Cg_endo -69.79 -49.06 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.675 2.25 . . . . 0.0 112.355 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 63' ' ' ARG . . . -51.56 -66.83 0.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 70.5 m -39.31 -31.87 0.09 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.144 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.471 ' CD ' ' O ' ' A' ' 58' ' ' ALA . 12.9 mtpt -80.64 -38.32 29.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.923 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' A' ' 60' ' ' ALA . 22.5 mmm180 -58.17 -43.7 87.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.839 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.409 ' HB3' HD23 ' A' ' 80' ' ' LEU . 21.3 mt -69.48 -51.14 38.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.917 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -103.33 120.92 41.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 179.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -94.16 145.53 24.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.106 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 28.3 tp -121.02 119.36 32.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.947 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 13.4 m-20 -73.3 130.84 41.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -94.05 13.07 24.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.6 p -118.79 -28.99 5.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.151 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.495 ' C ' ' CE1' ' A' ' 51' ' ' TYR . 44.9 p -127.88 -29.33 2.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.105 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 90.38 14.36 58.77 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.511 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 14.6 tp -81.96 145.41 30.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.772 0.32 . . . . 0.0 110.891 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 65.7 mt -113.46 133.27 59.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.121 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 16.7 p -132.41 170.93 14.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.15 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.478 ' O ' HG13 ' A' ' 29' ' ' VAL . 97.9 t -86.17 101.79 10.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.13 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 5.7 tt0 -72.06 -44.04 63.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.893 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 36.6 mtp85 -149.16 152.5 36.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.882 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.4 t -39.05 149.54 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.872 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.409 HD23 ' HB3' ' A' ' 64' ' ' LEU . 10.7 mt -98.96 156.23 17.01 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.928 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -114.68 115.09 26.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -88.31 -35.8 17.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.864 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -52.16 -46.05 65.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -78.62 -70.52 0.49 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.638 HG21 ' CE1' ' A' ' 88' ' ' HIS . 4.9 t -112.08 139.97 47.15 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.148 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.629 ' O ' HG23 ' A' ' 110' ' ' VAL . . . -102.37 -37.96 7.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.126 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 36.6 mt -116.36 139.19 44.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.09 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.638 ' CE1' HG21 ' A' ' 85' ' ' THR . 51.4 m-70 -119.55 111.04 17.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.816 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 27.2 mttp -103.66 111.35 23.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 65.7 t -123.62 132.98 70.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 16.7 m -99.75 142.63 30.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 69.9 t -117.34 151.31 19.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 77.7 mt -131.3 120.71 23.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -99.12 110.32 22.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.127 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.4 t -134.38 140.64 46.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.872 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -127.31 -31.8 2.51 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.846 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 163.34 35.57 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.503 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 51.0 p -131.49 -177.98 4.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.861 0.362 . . . . 0.0 110.865 -179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.427 ' O ' ' C ' ' A' ' 100' ' ' THR . 9.3 t -53.25 -176.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.828 -179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.427 ' C ' ' O ' ' A' ' 99' ' ' SER . 17.3 m -34.75 127.89 0.5 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.576 0.703 . . . . 0.0 111.158 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -175.01 1.01 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.667 2.244 . . . . 0.0 112.337 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -95.21 153.16 17.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.092 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 -102.82 139.82 37.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.672 ' HB2' ' CE1' ' A' ' 14' ' ' PHE . . . -137.22 118.4 14.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.084 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 89.7 m -93.99 108.27 20.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.156 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.47 HG11 HG21 ' A' ' 34' ' ' ILE . 84.5 t -103.88 110.07 29.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.111 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 8.1 m -91.22 134.22 34.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.118 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 18.0 mt -129.07 102.46 7.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.13 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . . . . . . . . . 66.9 m-80 -85.39 151.93 23.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.878 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.629 HG23 ' O ' ' A' ' 86' ' ' ALA . 34.6 t -111.34 130.23 65.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.118 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 11.3 p -114.57 172.39 7.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.095 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -90.22 153.56 20.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.853 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.432 HG11 ' HB3' ' A' ' 26' ' ' ASN . 2.9 m -108.68 -16.94 8.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.141 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 57.9 t-20 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.999 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.7 t -131.75 -48.38 0.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.85 0.357 . . . . 0.0 110.87 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.7 t -66.54 97.03 0.41 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.861 -179.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -96.43 143.57 16.79 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.494 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.6 m -139.36 165.35 27.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.86 0.362 . . . . 0.0 110.843 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 53.1 m -105.82 112.98 26.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.816 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.36 132.2 11.0 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.542 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -80.61 -60.4 2.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 0.0 110.912 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -129.95 134.33 47.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 38.6 m-20 -125.77 105.32 8.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.3 ptt85 -147.82 142.21 16.4 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.596 0.713 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 178.1 4.94 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.676 2.25 . . . . 0.0 112.326 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.7 p -160.33 143.47 4.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.13 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.534 ' CE1' ' HB3' ' A' ' 36' ' ' LEU . 6.3 m-85 -91.13 165.79 13.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.903 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -63.19 -54.2 41.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.406 ' HB2' ' CG2' ' A' ' 19' ' ' VAL . 21.5 mt-10 -145.5 113.73 6.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -39.37 -53.5 2.78 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.485 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 25.7 mp0 -119.1 129.81 55.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.875 0.369 . . . . 0.0 110.895 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.406 ' CG2' ' HB2' ' A' ' 16' ' ' GLU . 47.2 t -136.82 125.54 35.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.097 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.44 ' OE2' ' ND2' ' A' ' 109' ' ' ASN . 30.9 tt0 -94.71 152.64 18.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 27.7 m -151.57 165.81 2.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.486 ' CG ' ' O ' ' A' ' 22' ' ' HIS . 6.3 p-80 -126.53 122.13 34.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.866 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.477 ' CG1' ' HD2' ' A' ' 24' ' ' PRO . 6.7 tt -145.72 136.2 12.14 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.575 0.702 . . . . 0.0 111.173 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . 0.477 ' HD2' ' CG1' ' A' ' 23' ' ' ILE . 53.7 Cg_endo -69.75 161.45 45.87 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.743 2.295 . . . . 0.0 112.301 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -71.51 -36.39 71.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.3 t30 -90.54 21.0 4.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.854 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -51.5 142.33 22.05 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.627 0.727 . . . . 0.0 111.088 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 129.34 17.47 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.692 2.262 . . . . 0.0 112.329 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 89.0 t -56.84 137.14 19.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.172 179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 102.44 -2.49 50.03 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.526 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 85.6 m -73.83 134.68 43.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.806 0.336 . . . . 0.0 111.122 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 81.1 p -76.68 111.91 12.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.878 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 41.5 t -84.96 -65.32 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.148 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.41 ' CG2' HD12 ' A' ' 74' ' ' ILE . 2.9 tp -138.91 137.35 42.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.099 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 20.5 tt0 -118.32 111.16 18.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.534 ' HB3' ' CE1' ' A' ' 14' ' ' PHE . 4.6 mt -97.95 127.4 43.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.905 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -121.57 109.29 14.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.826 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.464 ' HB2' ' CD1' ' A' ' 14' ' ' PHE . . . -131.46 110.1 10.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.063 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 38.0 p -122.86 152.16 41.01 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.124 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.8 t0 -114.03 142.46 46.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.835 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -44.91 103.07 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.08 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.29 74.71 0.72 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.862 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 1.8 pt -92.7 106.99 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.127 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 97.06 -65.0 0.96 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.439 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 84.6 p -125.48 160.35 29.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.865 0.364 . . . . 0.0 110.831 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -69.99 155.84 40.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.91 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -116.64 114.9 24.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.092 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -92.54 85.34 5.28 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.917 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.715 HD13 ' HA ' ' A' ' 96' ' ' ASP . 28.1 mm -66.39 123.51 19.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.125 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 37.1 mmm-85 -112.64 117.31 31.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.446 ' O ' ' ND2' ' A' ' 69' ' ' ASN . 48.0 m-85 -86.0 135.53 33.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.499 ' C ' HD12 ' A' ' 52' ' ' ILE . 2.6 pp -137.33 162.9 32.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.483 ' CD2' ' HE2' ' A' ' 62' ' ' LYS . 28.6 m-85 -74.28 119.4 18.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.916 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.475 ' HA2' HD12 ' A' ' 93' ' ' LEU . . . -55.78 -175.31 0.18 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.455 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -83.41 153.27 24.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.762 0.315 . . . . 0.0 111.081 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 61.85 53.89 3.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.861 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 90.6 t -121.71 119.64 59.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.107 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.83 150.27 91.51 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.571 0.701 . . . . 0.0 111.066 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -50.72 0.44 Allowed 'Trans proline' 0 N--CA 1.465 -0.16 0 C-N-CA 122.676 2.251 . . . . 0.0 112.363 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -41.07 -51.26 3.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.11 179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.7 HG21 HG22 ' A' ' 90' ' ' VAL . 89.1 m -54.08 -36.68 63.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.483 ' HE2' ' CD2' ' A' ' 53' ' ' PHE . 1.9 mtpm? -72.6 -43.27 63.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.7 tpt85 -53.83 -41.18 67.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.791 HD23 ' HB2' ' A' ' 78' ' ' ARG . 14.9 mt -83.14 -49.47 9.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -94.37 124.01 38.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.873 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -102.77 122.39 44.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.083 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 21.4 tp -96.55 138.92 33.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.899 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -102.1 134.22 45.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.85 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.446 ' ND2' ' O ' ' A' ' 51' ' ' TYR . 0.8 OUTLIER -95.79 5.4 51.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.881 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 66.5 p -118.35 -28.54 5.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.113 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 43.8 p -121.98 -19.11 6.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.159 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 59.53 36.73 90.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.491 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 10.1 tp -112.93 121.85 45.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.789 0.328 . . . . 0.0 110.95 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.41 HD12 ' CG2' ' A' ' 34' ' ' ILE . 97.4 mt -85.66 123.13 39.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.131 179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 32.6 p -126.78 152.44 46.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 59.9 t -65.19 124.0 19.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.144 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -108.46 -26.04 10.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.791 ' HB2' HD23 ' A' ' 64' ' ' LEU . 10.7 mmm180 -143.96 161.28 39.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.85 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.6 m -64.66 120.33 12.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.824 -179.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.2 mt -74.62 143.8 44.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 60.8 m-20 -120.43 126.62 50.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.864 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 39.7 ttp85 -82.9 -43.8 16.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.899 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -41.08 -38.16 0.98 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -85.79 -64.92 1.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.591 HG21 ' CE1' ' A' ' 88' ' ' HIS . 4.8 t -126.83 122.43 34.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.169 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -87.99 -20.23 26.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 47.4 mt -134.62 137.27 51.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.112 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' HIS . . . . . 0.591 ' CE1' HG21 ' A' ' 85' ' ' THR . 32.9 m-70 -116.01 117.09 29.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.855 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -106.45 108.19 19.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.7 HG22 HG21 ' A' ' 61' ' ' THR . 93.0 t -119.01 144.56 26.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.134 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 32.6 m -122.68 113.62 19.47 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.098 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 98.3 t -98.13 140.4 18.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.101 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.475 HD12 ' HA2' ' A' ' 54' ' ' GLY . 76.2 mt -113.99 136.2 53.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -125.95 120.2 29.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.066 179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 47.6 t -131.39 118.61 20.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.869 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.715 ' HA ' HD13 ' A' ' 49' ' ' ILE . 0.5 OUTLIER -69.28 -54.01 16.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.833 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 176.45 112.5 0.31 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.512 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 26.4 m 52.05 43.62 30.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.887 0.375 . . . . 0.0 110.852 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.2 m -142.75 149.57 38.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.868 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 44.4 m -48.88 122.46 11.2 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.546 0.689 . . . . 0.0 111.158 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 149.22 66.62 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.645 2.23 . . . . 0.0 112.33 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -98.21 119.23 36.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.138 179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 103' ' ' ARG . 4.7 ptp180 -100.08 137.08 39.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.863 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -139.64 118.55 12.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.09 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' THR . . . . . . . . . . . . . 53.2 m -90.63 110.95 22.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.133 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.421 HG12 HG13 ' A' ' 108' ' ' ILE . 94.4 t -96.17 107.11 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.097 179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 3.8 m -80.73 102.6 10.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.128 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.421 HG13 HG12 ' A' ' 106' ' ' VAL . 18.0 mt -99.57 112.99 33.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.114 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ASN . . . . . 0.44 ' ND2' ' OE2' ' A' ' 20' ' ' GLU . 66.4 m-20 -85.72 152.77 22.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.881 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 47.0 t -121.69 117.86 53.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.136 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 67.1 p -106.79 175.54 5.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.156 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -93.07 163.81 13.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.44 ' CG1' ' HB2' ' A' ' 24' ' ' PRO . 6.8 m -115.86 -16.61 8.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.172 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.415 ' OD1' ' C ' ' A' ' 114' ' ' ASN . 3.2 p-10 . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.852 -179.958 . . . . . . . . 1 1 . 1 stop_ save_